Starting phenix.real_space_refine on Thu Feb 22 20:39:38 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7szz_25573/02_2024/7szz_25573.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7szz_25573/02_2024/7szz_25573.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.9 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7szz_25573/02_2024/7szz_25573.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7szz_25573/02_2024/7szz_25573.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7szz_25573/02_2024/7szz_25573.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7szz_25573/02_2024/7szz_25573.pdb" } resolution = 3.9 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 0.001 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 804 5.16 5 C 99696 2.51 5 N 21306 2.21 5 O 21306 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ASP 13": "OD1" <-> "OD2" Residue "C PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 13": "OD1" <-> "OD2" Residue "G PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 13": "OD1" <-> "OD2" Residue "K PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 13": "OD1" <-> "OD2" Residue "O PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 13": "OD1" <-> "OD2" Residue "S PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 13": "OD1" <-> "OD2" Residue "W PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 13": "OD1" <-> "OD2" Residue "0 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 13": "OD1" <-> "OD2" Residue "4 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ASP 13": "OD1" <-> "OD2" Residue "8 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 13": "OD1" <-> "OD2" Residue "c PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 13": "OD1" <-> "OD2" Residue "g PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 13": "OD1" <-> "OD2" Residue "k PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 13": "OD1" <-> "OD2" Residue "o PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 13": "OD1" <-> "OD2" Residue "s PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 13": "OD1" <-> "OD2" Residue "w PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ASP 13": "OD1" <-> "OD2" Residue "AA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC ASP 13": "OD1" <-> "OD2" Residue "AE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG ASP 13": "OD1" <-> "OD2" Residue "AI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK ASP 13": "OD1" <-> "OD2" Residue "AM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO ASP 13": "OD1" <-> "OD2" Residue "AQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS ASP 13": "OD1" <-> "OD2" Residue "AU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AW ASP 13": "OD1" <-> "OD2" Residue "AY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A0 ASP 13": "OD1" <-> "OD2" Residue "A2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A4 ASP 13": "OD1" <-> "OD2" Residue "A6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A8 ASP 13": "OD1" <-> "OD2" Residue "BA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BC ASP 13": "OD1" <-> "OD2" Residue "BE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BG ASP 13": "OD1" <-> "OD2" Residue "BI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BK ASP 13": "OD1" <-> "OD2" Residue "BM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BO ASP 13": "OD1" <-> "OD2" Residue "BQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BS ASP 13": "OD1" <-> "OD2" Residue "BU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BW ASP 13": "OD1" <-> "OD2" Residue "BY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B0 ASP 13": "OD1" <-> "OD2" Residue "B2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B4 ASP 13": "OD1" <-> "OD2" Residue "B6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B8 ASP 13": "OD1" <-> "OD2" Residue "CA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CC ASP 13": "OD1" <-> "OD2" Residue "CE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CG ASP 13": "OD1" <-> "OD2" Residue "CI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CK ASP 13": "OD1" <-> "OD2" Residue "CM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CO ASP 13": "OD1" <-> "OD2" Residue "CQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CS ASP 13": "OD1" <-> "OD2" Residue "CU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CW ASP 13": "OD1" <-> "OD2" Residue "CY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C0 ASP 13": "OD1" <-> "OD2" Residue "C2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C4 ASP 13": "OD1" <-> "OD2" Residue "C6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C8 ASP 13": "OD1" <-> "OD2" Residue "DA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DC ASP 13": "OD1" <-> "OD2" Residue "DE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DG ASP 13": "OD1" <-> "OD2" Residue "DI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DK ASP 13": "OD1" <-> "OD2" Residue "DM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DO ASP 13": "OD1" <-> "OD2" Residue "DQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DS ASP 13": "OD1" <-> "OD2" Residue "DU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DW ASP 13": "OD1" <-> "OD2" Residue "DY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D0 ASP 13": "OD1" <-> "OD2" Residue "D2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D4 ASP 13": "OD1" <-> "OD2" Residue "D6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D8 ASP 13": "OD1" <-> "OD2" Residue "EA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EC ASP 13": "OD1" <-> "OD2" Residue "EE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EG ASP 13": "OD1" <-> "OD2" Residue "EI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EK ASP 13": "OD1" <-> "OD2" Residue "EM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EO ASP 13": "OD1" <-> "OD2" Residue "EQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "ER PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "ES ASP 13": "OD1" <-> "OD2" Residue "EU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EW ASP 13": "OD1" <-> "OD2" Residue "EY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E0 ASP 13": "OD1" <-> "OD2" Residue "E2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E4 ASP 13": "OD1" <-> "OD2" Residue "E6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E8 ASP 13": "OD1" <-> "OD2" Residue "FA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FC ASP 13": "OD1" <-> "OD2" Residue "FE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FG ASP 13": "OD1" <-> "OD2" Residue "FI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FK ASP 13": "OD1" <-> "OD2" Residue "FM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FO ASP 13": "OD1" <-> "OD2" Residue "FQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FS ASP 13": "OD1" <-> "OD2" Residue "FU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FW ASP 13": "OD1" <-> "OD2" Residue "FY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F0 ASP 13": "OD1" <-> "OD2" Residue "F2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F4 ASP 13": "OD1" <-> "OD2" Residue "F6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F8 ASP 13": "OD1" <-> "OD2" Residue "GA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GC ASP 13": "OD1" <-> "OD2" Residue "GE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GG ASP 13": "OD1" <-> "OD2" Residue "GI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GK ASP 13": "OD1" <-> "OD2" Residue "GM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GO ASP 13": "OD1" <-> "OD2" Residue "GQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GS ASP 13": "OD1" <-> "OD2" Residue "GU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GW ASP 13": "OD1" <-> "OD2" Residue "GY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G0 ASP 13": "OD1" <-> "OD2" Residue "G2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G4 ASP 13": "OD1" <-> "OD2" Residue "G6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G8 ASP 13": "OD1" <-> "OD2" Residue "HA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HC ASP 13": "OD1" <-> "OD2" Residue "HE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HG ASP 13": "OD1" <-> "OD2" Residue "HI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HK ASP 13": "OD1" <-> "OD2" Residue "HM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HO ASP 13": "OD1" <-> "OD2" Residue "HQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HS ASP 13": "OD1" <-> "OD2" Residue "HU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HW ASP 13": "OD1" <-> "OD2" Residue "HY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H0 ASP 13": "OD1" <-> "OD2" Residue "H2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H4 ASP 13": "OD1" <-> "OD2" Residue "H6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H8 ASP 13": "OD1" <-> "OD2" Residue "IA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IC ASP 13": "OD1" <-> "OD2" Residue "IE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IG ASP 13": "OD1" <-> "OD2" Residue "II PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "II PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IK ASP 13": "OD1" <-> "OD2" Residue "IM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IO ASP 13": "OD1" <-> "OD2" Residue "IQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IS ASP 13": "OD1" <-> "OD2" Residue "IU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IW ASP 13": "OD1" <-> "OD2" Residue "IY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I0 ASP 13": "OD1" <-> "OD2" Residue "I2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I4 ASP 13": "OD1" <-> "OD2" Residue "I6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I8 ASP 13": "OD1" <-> "OD2" Residue "JA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JC ASP 13": "OD1" <-> "OD2" Residue "JE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JG ASP 13": "OD1" <-> "OD2" Residue "JI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JK ASP 13": "OD1" <-> "OD2" Residue "JM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JO ASP 13": "OD1" <-> "OD2" Residue "JQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JS ASP 13": "OD1" <-> "OD2" Residue "JU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JW ASP 13": "OD1" <-> "OD2" Residue "JY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J0 ASP 13": "OD1" <-> "OD2" Residue "J2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J4 ASP 13": "OD1" <-> "OD2" Residue "J6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J8 ASP 13": "OD1" <-> "OD2" Residue "KA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KC ASP 13": "OD1" <-> "OD2" Residue "KE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KG ASP 13": "OD1" <-> "OD2" Residue "KI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KK ASP 13": "OD1" <-> "OD2" Residue "KM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KO ASP 13": "OD1" <-> "OD2" Residue "KQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KS ASP 13": "OD1" <-> "OD2" Residue "KU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KW ASP 13": "OD1" <-> "OD2" Residue "KY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K0 ASP 13": "OD1" <-> "OD2" Residue "K2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K4 ASP 13": "OD1" <-> "OD2" Residue "K6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K8 ASP 13": "OD1" <-> "OD2" Residue "LA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LC ASP 13": "OD1" <-> "OD2" Residue "LE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LG ASP 13": "OD1" <-> "OD2" Residue "LI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LK ASP 13": "OD1" <-> "OD2" Residue "LM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LO ASP 13": "OD1" <-> "OD2" Residue "LQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LS ASP 13": "OD1" <-> "OD2" Residue "LU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LW ASP 13": "OD1" <-> "OD2" Residue "LY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L0 ASP 13": "OD1" <-> "OD2" Residue "L2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L4 ASP 13": "OD1" <-> "OD2" Residue "L6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L8 ASP 13": "OD1" <-> "OD2" Residue "MA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MC ASP 13": "OD1" <-> "OD2" Residue "ME PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "ME PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MG ASP 13": "OD1" <-> "OD2" Residue "MI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MK ASP 13": "OD1" <-> "OD2" Residue "MM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MO ASP 13": "OD1" <-> "OD2" Residue "MQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MS ASP 13": "OD1" <-> "OD2" Residue "MU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MW ASP 13": "OD1" <-> "OD2" Residue "MY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M0 ASP 13": "OD1" <-> "OD2" Residue "M2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M4 ASP 13": "OD1" <-> "OD2" Residue "M6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M8 ASP 13": "OD1" <-> "OD2" Residue "NA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NC ASP 13": "OD1" <-> "OD2" Residue "NE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NG ASP 13": "OD1" <-> "OD2" Residue "NI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NK ASP 13": "OD1" <-> "OD2" Residue "NM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NO ASP 13": "OD1" <-> "OD2" Residue "NQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NS ASP 13": "OD1" <-> "OD2" Residue "NU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NW ASP 13": "OD1" <-> "OD2" Residue "NY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N0 ASP 13": "OD1" <-> "OD2" Residue "N2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N4 ASP 13": "OD1" <-> "OD2" Residue "N6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N8 ASP 13": "OD1" <-> "OD2" Residue "OA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OC ASP 13": "OD1" <-> "OD2" Residue "OE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OG ASP 13": "OD1" <-> "OD2" Residue "OI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OK ASP 13": "OD1" <-> "OD2" Residue "OM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "ON PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OO ASP 13": "OD1" <-> "OD2" Residue "OQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OS ASP 13": "OD1" <-> "OD2" Residue "OU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OW ASP 13": "OD1" <-> "OD2" Residue "OY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O0 ASP 13": "OD1" <-> "OD2" Residue "O2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O4 ASP 13": "OD1" <-> "OD2" Residue "O6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O8 ASP 13": "OD1" <-> "OD2" Residue "PA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PC ASP 13": "OD1" <-> "OD2" Residue "PE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PG ASP 13": "OD1" <-> "OD2" Residue "PI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PK ASP 13": "OD1" <-> "OD2" Residue "PM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PO ASP 13": "OD1" <-> "OD2" Residue "PQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PS ASP 13": "OD1" <-> "OD2" Residue "PU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PW ASP 13": "OD1" <-> "OD2" Residue "PY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P0 ASP 13": "OD1" <-> "OD2" Residue "P2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P4 ASP 13": "OD1" <-> "OD2" Residue "P6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P8 ASP 13": "OD1" <-> "OD2" Residue "QA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QC ASP 13": "OD1" <-> "OD2" Residue "QE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QG ASP 13": "OD1" <-> "OD2" Residue "QI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QK ASP 13": "OD1" <-> "OD2" Residue "QM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QO ASP 13": "OD1" <-> "OD2" Residue "QQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QS ASP 13": "OD1" <-> "OD2" Residue "QU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QW ASP 13": "OD1" <-> "OD2" Residue "QY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q0 ASP 13": "OD1" <-> "OD2" Residue "Q2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q4 ASP 13": "OD1" <-> "OD2" Residue "Q6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q8 ASP 13": "OD1" <-> "OD2" Residue "RA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RC ASP 13": "OD1" <-> "OD2" Residue "RE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RG ASP 13": "OD1" <-> "OD2" Residue "RI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RK ASP 13": "OD1" <-> "OD2" Residue "RM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RO ASP 13": "OD1" <-> "OD2" Residue "RQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RS ASP 13": "OD1" <-> "OD2" Residue "RU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RW ASP 13": "OD1" <-> "OD2" Residue "RY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R0 ASP 13": "OD1" <-> "OD2" Residue "R2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R4 ASP 13": "OD1" <-> "OD2" Residue "R6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R8 ASP 13": "OD1" <-> "OD2" Residue "SA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SC ASP 13": "OD1" <-> "OD2" Residue "SE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SG ASP 13": "OD1" <-> "OD2" Residue "SI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SK ASP 13": "OD1" <-> "OD2" Residue "SM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SO ASP 13": "OD1" <-> "OD2" Residue "SQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SS ASP 13": "OD1" <-> "OD2" Residue "SU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SW ASP 13": "OD1" <-> "OD2" Residue "SY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S0 ASP 13": "OD1" <-> "OD2" Residue "S2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S4 ASP 13": "OD1" <-> "OD2" Residue "S6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S8 ASP 13": "OD1" <-> "OD2" Residue "TA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TC ASP 13": "OD1" <-> "OD2" Residue "TE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TG ASP 13": "OD1" <-> "OD2" Residue "TI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TK ASP 13": "OD1" <-> "OD2" Residue "TM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TO ASP 13": "OD1" <-> "OD2" Residue "TQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TS ASP 13": "OD1" <-> "OD2" Residue "TU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TW ASP 13": "OD1" <-> "OD2" Residue "TY PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TY PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TZ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T0 ASP 13": "OD1" <-> "OD2" Residue "T2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T2 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T3 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T4 ASP 13": "OD1" <-> "OD2" Residue "T6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T6 PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T7 PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T8 ASP 13": "OD1" <-> "OD2" Residue "UA PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UA PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UB PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UC ASP 13": "OD1" <-> "OD2" Residue "UE PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UE PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UF PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UG ASP 13": "OD1" <-> "OD2" Residue "UI PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UI PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UJ PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UK ASP 13": "OD1" <-> "OD2" Residue "UM PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UM PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UN PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UO ASP 13": "OD1" <-> "OD2" Residue "UQ PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UQ PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UR PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "US ASP 13": "OD1" <-> "OD2" Residue "UU PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UU PHE 11": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UV PHE 18": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.43s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5238/modules/chem_data/mon_lib" Total number of atoms: 143112 Number of models: 1 Model: "" Number of chains: 804 Chain: "A" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "C" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "G" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "K" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "O" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "S" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "U" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "V" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "W" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "X" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Y" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Z" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "1" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "3" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "5" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "7" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "9" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "a" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "b" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "c" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "d" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "e" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "f" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "g" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "h" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "i" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "j" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "k" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "l" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "m" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "n" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "o" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "p" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "q" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "r" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "s" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "t" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "u" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "v" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "w" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "x" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "y" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "z" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "AA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "AE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "AI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "AM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "AQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "AU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "AY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "AZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "A2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "A6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "A9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "BA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "BE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "BI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "BM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "BQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "BU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "BY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "BZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "B2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "B6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "B9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "CA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "CE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "CI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "CM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "CQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "CU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "CY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "CZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "C2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "C6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "C9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "DA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "DE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "DI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "DM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "DQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "DU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "DY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "DZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "D2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "D6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "D9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "EA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ED" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "EE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "EI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "EM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "EQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ER" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ES" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ET" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "EU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "EY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "EZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "E2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "E6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "E9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "FA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "FE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "FI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "FM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "FQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "FU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "FY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "FZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "F2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "F6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "F9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "GA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "GE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "GI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "GM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "GQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "GU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "GY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "GZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "G2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "G6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "G9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "HA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "HE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "HI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "HM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "HQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "HU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "HY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "HZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "H2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "H6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "H9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "IA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ID" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "IE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "II" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "IM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "IQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "IU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "IY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "IZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "I2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "I6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "I9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "JA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "JE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "JI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "JM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "JQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "JU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "JY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "JZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "J2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "J6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "J9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "KA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "KE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "KI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "KM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "KQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "KU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "KY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "KZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "K2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "K6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "K9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "LA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "LE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "LI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "LM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "LQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "LU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "LY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "LZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "L2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "L6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "L9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "MA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "ME" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "MI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ML" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "MM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "MQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "MU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "MY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "MZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "M2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "M6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "M9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "NA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ND" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "NE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "NI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "NM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "NQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "NU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "NY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "NZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "N2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "N6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "N9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "OA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "OE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "OI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "OM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ON" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "OQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "OU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "OY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "OZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "O2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "O6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "O9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "PA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "PE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "PI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "PM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "PQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "PU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "PY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "PZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "P2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "P6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "P9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "QA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "QE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "QI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "QM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "QQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "QU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "QY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "QZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "Q2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "Q6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "Q9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "RA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "RE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "RI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "RM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "RQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "RU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "RY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "RZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "R2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "R6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "R9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "SA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "SE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "SI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "SM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "SQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "ST" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "SU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "SY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "SZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "S2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "S6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "S9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "TA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "TE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "TI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "TM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "TQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TS" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "TU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TW" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TX" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "TY" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "TZ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T0" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T1" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "T2" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T3" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T4" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T5" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "T6" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T7" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T8" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "T9" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "UA" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UB" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UC" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UD" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "UE" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UF" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UG" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UH" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "UI" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UJ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UK" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UL" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "UM" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UN" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UO" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UP" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "UQ" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UR" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "US" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UT" Number of atoms: 184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 184 Classifications: {'peptide': 22} Link IDs: {'TRANS': 21} Chain: "UU" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Chain: "UV" Number of atoms: 176 Number of conformers: 1 Conformer: "" Number of residues, atoms: 21, 176 Classifications: {'peptide': 21} Link IDs: {'TRANS': 20} Time building chain proxies: 51.79, per 1000 atoms: 0.36 Number of scatterers: 143112 At special positions: 0 Unit cell: (392.04, 392.04, 185.76, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 804 16.00 O 21306 8.00 N 21306 7.00 C 99696 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 41.11 Conformation dependent library (CDL) restraints added in 16.5 seconds 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 30954 Finding SS restraints... Secondary structure from input PDB file: 804 helices and 0 sheets defined 82.4% alpha, 0.0% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 8.59 Creating SS restraints... Processing helix chain 'A' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS A 17 " --> pdb=" O ASP A 13 " (cutoff:3.500A) Processing helix chain 'B' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE B 8 " --> pdb=" O VAL B 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS B 9 " --> pdb=" O ALA B 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP B 13 " --> pdb=" O LYS B 9 " (cutoff:3.500A) Processing helix chain 'C' and resid 2 through 17 Processing helix chain 'D' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYS D 9 " --> pdb=" O ALA D 5 " (cutoff:3.500A) Processing helix chain 'E' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS E 17 " --> pdb=" O ASP E 13 " (cutoff:3.500A) Processing helix chain 'F' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE F 8 " --> pdb=" O VAL F 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS F 9 " --> pdb=" O ALA F 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP F 13 " --> pdb=" O LYS F 9 " (cutoff:3.500A) Processing helix chain 'G' and resid 2 through 17 Processing helix chain 'H' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYS H 9 " --> pdb=" O ALA H 5 " (cutoff:3.500A) Processing helix chain 'I' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYS I 17 " --> pdb=" O ASP I 13 " (cutoff:3.500A) Processing helix chain 'J' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE J 8 " --> pdb=" O VAL J 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS J 9 " --> pdb=" O ALA J 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASP J 13 " --> pdb=" O LYS J 9 " (cutoff:3.500A) Processing helix chain 'K' and resid 2 through 17 Processing helix chain 'L' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYS L 9 " --> pdb=" O ALA L 5 " (cutoff:3.500A) Processing helix chain 'M' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYS M 17 " --> pdb=" O ASP M 13 " (cutoff:3.500A) Processing helix chain 'N' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE N 8 " --> pdb=" O VAL N 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS N 9 " --> pdb=" O ALA N 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP N 13 " --> pdb=" O LYS N 9 " (cutoff:3.500A) Processing helix chain 'O' and resid 2 through 17 Processing helix chain 'P' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYS P 9 " --> pdb=" O ALA P 5 " (cutoff:3.500A) Processing helix chain 'Q' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS Q 17 " --> pdb=" O ASP Q 13 " (cutoff:3.500A) Processing helix chain 'R' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE R 8 " --> pdb=" O VAL R 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS R 9 " --> pdb=" O ALA R 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP R 13 " --> pdb=" O LYS R 9 " (cutoff:3.500A) Processing helix chain 'S' and resid 2 through 17 Processing helix chain 'T' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYS T 9 " --> pdb=" O ALA T 5 " (cutoff:3.500A) Processing helix chain 'U' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS U 17 " --> pdb=" O ASP U 13 " (cutoff:3.500A) Processing helix chain 'V' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE V 8 " --> pdb=" O VAL V 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS V 9 " --> pdb=" O ALA V 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP V 13 " --> pdb=" O LYS V 9 " (cutoff:3.500A) Processing helix chain 'W' and resid 2 through 17 Processing helix chain 'X' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYS X 9 " --> pdb=" O ALA X 5 " (cutoff:3.500A) Processing helix chain 'Y' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS Y 17 " --> pdb=" O ASP Y 13 " (cutoff:3.500A) Processing helix chain 'Z' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE Z 8 " --> pdb=" O VAL Z 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYS Z 9 " --> pdb=" O ALA Z 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP Z 13 " --> pdb=" O LYS Z 9 " (cutoff:3.500A) Processing helix chain '0' and resid 2 through 17 Processing helix chain '1' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYS 1 9 " --> pdb=" O ALA 1 5 " (cutoff:3.500A) Processing helix chain '2' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS 2 17 " --> pdb=" O ASP 2 13 " (cutoff:3.500A) Processing helix chain '3' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE 3 8 " --> pdb=" O VAL 3 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYS 3 9 " --> pdb=" O ALA 3 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP 3 13 " --> pdb=" O LYS 3 9 " (cutoff:3.500A) Processing helix chain '4' and resid 2 through 17 Processing helix chain '5' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYS 5 9 " --> pdb=" O ALA 5 5 " (cutoff:3.500A) Processing helix chain '6' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYS 6 17 " --> pdb=" O ASP 6 13 " (cutoff:3.500A) Processing helix chain '7' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE 7 8 " --> pdb=" O VAL 7 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS 7 9 " --> pdb=" O ALA 7 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP 7 13 " --> pdb=" O LYS 7 9 " (cutoff:3.500A) Processing helix chain '8' and resid 2 through 17 Processing helix chain '9' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYS 9 9 " --> pdb=" O ALA 9 5 " (cutoff:3.500A) Processing helix chain 'a' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS a 17 " --> pdb=" O ASP a 13 " (cutoff:3.500A) Processing helix chain 'b' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE b 8 " --> pdb=" O VAL b 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS b 9 " --> pdb=" O ALA b 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP b 13 " --> pdb=" O LYS b 9 " (cutoff:3.500A) Processing helix chain 'c' and resid 2 through 17 Processing helix chain 'd' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYS d 9 " --> pdb=" O ALA d 5 " (cutoff:3.500A) Processing helix chain 'e' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYS e 17 " --> pdb=" O ASP e 13 " (cutoff:3.500A) Processing helix chain 'f' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE f 8 " --> pdb=" O VAL f 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYS f 9 " --> pdb=" O ALA f 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP f 13 " --> pdb=" O LYS f 9 " (cutoff:3.500A) Processing helix chain 'g' and resid 2 through 17 Processing helix chain 'h' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYS h 9 " --> pdb=" O ALA h 5 " (cutoff:3.500A) Processing helix chain 'i' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS i 17 " --> pdb=" O ASP i 13 " (cutoff:3.500A) Processing helix chain 'j' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE j 8 " --> pdb=" O VAL j 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYS j 9 " --> pdb=" O ALA j 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP j 13 " --> pdb=" O LYS j 9 " (cutoff:3.500A) Processing helix chain 'k' and resid 2 through 17 Processing helix chain 'l' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYS l 9 " --> pdb=" O ALA l 5 " (cutoff:3.500A) Processing helix chain 'm' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS m 17 " --> pdb=" O ASP m 13 " (cutoff:3.500A) Processing helix chain 'n' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE n 8 " --> pdb=" O VAL n 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYS n 9 " --> pdb=" O ALA n 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP n 13 " --> pdb=" O LYS n 9 " (cutoff:3.500A) Processing helix chain 'o' and resid 2 through 17 Processing helix chain 'p' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYS p 9 " --> pdb=" O ALA p 5 " (cutoff:3.500A) Processing helix chain 'q' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS q 17 " --> pdb=" O ASP q 13 " (cutoff:3.500A) Processing helix chain 'r' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE r 8 " --> pdb=" O VAL r 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYS r 9 " --> pdb=" O ALA r 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASP r 13 " --> pdb=" O LYS r 9 " (cutoff:3.500A) Processing helix chain 's' and resid 2 through 17 Processing helix chain 't' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYS t 9 " --> pdb=" O ALA t 5 " (cutoff:3.500A) Processing helix chain 'u' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYS u 17 " --> pdb=" O ASP u 13 " (cutoff:3.500A) Processing helix chain 'v' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHE v 8 " --> pdb=" O VAL v 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYS v 9 " --> pdb=" O ALA v 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASP v 13 " --> pdb=" O LYS v 9 " (cutoff:3.500A) Processing helix chain 'w' and resid 2 through 17 Processing helix chain 'x' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYS x 9 " --> pdb=" O ALA x 5 " (cutoff:3.500A) Processing helix chain 'y' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYS y 17 " --> pdb=" O ASP y 13 " (cutoff:3.500A) Processing helix chain 'z' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHE z 8 " --> pdb=" O VAL z 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYS z 9 " --> pdb=" O ALA z 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASP z 13 " --> pdb=" O LYS z 9 " (cutoff:3.500A) Processing helix chain 'AA' and resid 2 through 17 Processing helix chain 'AB' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSAB 9 " --> pdb=" O ALAAB 5 " (cutoff:3.500A) Processing helix chain 'AC' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSAC 17 " --> pdb=" O ASPAC 13 " (cutoff:3.500A) Processing helix chain 'AD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEAD 8 " --> pdb=" O VALAD 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSAD 9 " --> pdb=" O ALAAD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPAD 13 " --> pdb=" O LYSAD 9 " (cutoff:3.500A) Processing helix chain 'AE' and resid 2 through 17 Processing helix chain 'AF' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSAF 9 " --> pdb=" O ALAAF 5 " (cutoff:3.500A) Processing helix chain 'AG' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSAG 17 " --> pdb=" O ASPAG 13 " (cutoff:3.500A) Processing helix chain 'AH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEAH 8 " --> pdb=" O VALAH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSAH 9 " --> pdb=" O ALAAH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPAH 13 " --> pdb=" O LYSAH 9 " (cutoff:3.500A) Processing helix chain 'AI' and resid 2 through 17 Processing helix chain 'AJ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSAJ 9 " --> pdb=" O ALAAJ 5 " (cutoff:3.500A) Processing helix chain 'AK' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSAK 17 " --> pdb=" O ASPAK 13 " (cutoff:3.500A) Processing helix chain 'AL' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEAL 8 " --> pdb=" O VALAL 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSAL 9 " --> pdb=" O ALAAL 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPAL 13 " --> pdb=" O LYSAL 9 " (cutoff:3.500A) Processing helix chain 'AM' and resid 2 through 17 Processing helix chain 'AN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSAN 9 " --> pdb=" O ALAAN 5 " (cutoff:3.500A) Processing helix chain 'AO' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSAO 17 " --> pdb=" O ASPAO 13 " (cutoff:3.500A) Processing helix chain 'AP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEAP 8 " --> pdb=" O VALAP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSAP 9 " --> pdb=" O ALAAP 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPAP 13 " --> pdb=" O LYSAP 9 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 2 through 17 Processing helix chain 'AR' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSAR 9 " --> pdb=" O ALAAR 5 " (cutoff:3.500A) Processing helix chain 'AS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSAS 17 " --> pdb=" O ASPAS 13 " (cutoff:3.500A) Processing helix chain 'AT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEAT 8 " --> pdb=" O VALAT 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSAT 9 " --> pdb=" O ALAAT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPAT 13 " --> pdb=" O LYSAT 9 " (cutoff:3.500A) Processing helix chain 'AU' and resid 2 through 17 Processing helix chain 'AV' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSAV 9 " --> pdb=" O ALAAV 5 " (cutoff:3.500A) Processing helix chain 'AW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSAW 17 " --> pdb=" O ASPAW 13 " (cutoff:3.500A) Processing helix chain 'AX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEAX 8 " --> pdb=" O VALAX 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSAX 9 " --> pdb=" O ALAAX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPAX 13 " --> pdb=" O LYSAX 9 " (cutoff:3.500A) Processing helix chain 'AY' and resid 2 through 17 Processing helix chain 'AZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSAZ 9 " --> pdb=" O ALAAZ 5 " (cutoff:3.500A) Processing helix chain 'A0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSA0 17 " --> pdb=" O ASPA0 13 " (cutoff:3.500A) Processing helix chain 'A1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEA1 8 " --> pdb=" O VALA1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSA1 9 " --> pdb=" O ALAA1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPA1 13 " --> pdb=" O LYSA1 9 " (cutoff:3.500A) Processing helix chain 'A2' and resid 2 through 17 Processing helix chain 'A3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSA3 9 " --> pdb=" O ALAA3 5 " (cutoff:3.500A) Processing helix chain 'A4' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSA4 17 " --> pdb=" O ASPA4 13 " (cutoff:3.500A) Processing helix chain 'A5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEA5 8 " --> pdb=" O VALA5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSA5 9 " --> pdb=" O ALAA5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPA5 13 " --> pdb=" O LYSA5 9 " (cutoff:3.500A) Processing helix chain 'A6' and resid 2 through 17 Processing helix chain 'A7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSA7 9 " --> pdb=" O ALAA7 5 " (cutoff:3.500A) Processing helix chain 'A8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSA8 17 " --> pdb=" O ASPA8 13 " (cutoff:3.500A) Processing helix chain 'A9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEA9 8 " --> pdb=" O VALA9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSA9 9 " --> pdb=" O ALAA9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPA9 13 " --> pdb=" O LYSA9 9 " (cutoff:3.500A) Processing helix chain 'BA' and resid 2 through 17 Processing helix chain 'BB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSBB 9 " --> pdb=" O ALABB 5 " (cutoff:3.500A) Processing helix chain 'BC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSBC 17 " --> pdb=" O ASPBC 13 " (cutoff:3.500A) Processing helix chain 'BD' and resid 2 through 19 removed outlier: 3.505A pdb=" N PHEBD 8 " --> pdb=" O VALBD 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSBD 9 " --> pdb=" O ALABD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPBD 13 " --> pdb=" O LYSBD 9 " (cutoff:3.500A) Processing helix chain 'BE' and resid 2 through 17 Processing helix chain 'BF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSBF 9 " --> pdb=" O ALABF 5 " (cutoff:3.500A) Processing helix chain 'BG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSBG 17 " --> pdb=" O ASPBG 13 " (cutoff:3.500A) Processing helix chain 'BH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEBH 8 " --> pdb=" O VALBH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSBH 9 " --> pdb=" O ALABH 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPBH 13 " --> pdb=" O LYSBH 9 " (cutoff:3.500A) Processing helix chain 'BI' and resid 2 through 17 Processing helix chain 'BJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSBJ 9 " --> pdb=" O ALABJ 5 " (cutoff:3.500A) Processing helix chain 'BK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSBK 17 " --> pdb=" O ASPBK 13 " (cutoff:3.500A) Processing helix chain 'BL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEBL 8 " --> pdb=" O VALBL 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSBL 9 " --> pdb=" O ALABL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPBL 13 " --> pdb=" O LYSBL 9 " (cutoff:3.500A) Processing helix chain 'BM' and resid 2 through 17 Processing helix chain 'BN' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSBN 9 " --> pdb=" O ALABN 5 " (cutoff:3.500A) Processing helix chain 'BO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSBO 17 " --> pdb=" O ASPBO 13 " (cutoff:3.500A) Processing helix chain 'BP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEBP 8 " --> pdb=" O VALBP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSBP 9 " --> pdb=" O ALABP 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPBP 13 " --> pdb=" O LYSBP 9 " (cutoff:3.500A) Processing helix chain 'BQ' and resid 2 through 17 Processing helix chain 'BR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSBR 9 " --> pdb=" O ALABR 5 " (cutoff:3.500A) Processing helix chain 'BS' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSBS 17 " --> pdb=" O ASPBS 13 " (cutoff:3.500A) Processing helix chain 'BT' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEBT 8 " --> pdb=" O VALBT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSBT 9 " --> pdb=" O ALABT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPBT 13 " --> pdb=" O LYSBT 9 " (cutoff:3.500A) Processing helix chain 'BU' and resid 2 through 17 Processing helix chain 'BV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSBV 9 " --> pdb=" O ALABV 5 " (cutoff:3.500A) Processing helix chain 'BW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSBW 17 " --> pdb=" O ASPBW 13 " (cutoff:3.500A) Processing helix chain 'BX' and resid 2 through 19 removed outlier: 3.505A pdb=" N PHEBX 8 " --> pdb=" O VALBX 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSBX 9 " --> pdb=" O ALABX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPBX 13 " --> pdb=" O LYSBX 9 " (cutoff:3.500A) Processing helix chain 'BY' and resid 2 through 17 Processing helix chain 'BZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSBZ 9 " --> pdb=" O ALABZ 5 " (cutoff:3.500A) Processing helix chain 'B0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSB0 17 " --> pdb=" O ASPB0 13 " (cutoff:3.500A) Processing helix chain 'B1' and resid 2 through 19 removed outlier: 3.505A pdb=" N PHEB1 8 " --> pdb=" O VALB1 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSB1 9 " --> pdb=" O ALAB1 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPB1 13 " --> pdb=" O LYSB1 9 " (cutoff:3.500A) Processing helix chain 'B2' and resid 2 through 17 Processing helix chain 'B3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSB3 9 " --> pdb=" O ALAB3 5 " (cutoff:3.500A) Processing helix chain 'B4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSB4 17 " --> pdb=" O ASPB4 13 " (cutoff:3.500A) Processing helix chain 'B5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEB5 8 " --> pdb=" O VALB5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSB5 9 " --> pdb=" O ALAB5 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPB5 13 " --> pdb=" O LYSB5 9 " (cutoff:3.500A) Processing helix chain 'B6' and resid 2 through 17 Processing helix chain 'B7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSB7 9 " --> pdb=" O ALAB7 5 " (cutoff:3.500A) Processing helix chain 'B8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSB8 17 " --> pdb=" O ASPB8 13 " (cutoff:3.500A) Processing helix chain 'B9' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEB9 8 " --> pdb=" O VALB9 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSB9 9 " --> pdb=" O ALAB9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPB9 13 " --> pdb=" O LYSB9 9 " (cutoff:3.500A) Processing helix chain 'CA' and resid 2 through 17 Processing helix chain 'CB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSCB 9 " --> pdb=" O ALACB 5 " (cutoff:3.500A) Processing helix chain 'CC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSCC 17 " --> pdb=" O ASPCC 13 " (cutoff:3.500A) Processing helix chain 'CD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHECD 8 " --> pdb=" O VALCD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSCD 9 " --> pdb=" O ALACD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPCD 13 " --> pdb=" O LYSCD 9 " (cutoff:3.500A) Processing helix chain 'CE' and resid 2 through 17 Processing helix chain 'CF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSCF 9 " --> pdb=" O ALACF 5 " (cutoff:3.500A) Processing helix chain 'CG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSCG 17 " --> pdb=" O ASPCG 13 " (cutoff:3.500A) Processing helix chain 'CH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHECH 8 " --> pdb=" O VALCH 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSCH 9 " --> pdb=" O ALACH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPCH 13 " --> pdb=" O LYSCH 9 " (cutoff:3.500A) Processing helix chain 'CI' and resid 2 through 17 Processing helix chain 'CJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSCJ 9 " --> pdb=" O ALACJ 5 " (cutoff:3.500A) Processing helix chain 'CK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSCK 17 " --> pdb=" O ASPCK 13 " (cutoff:3.500A) Processing helix chain 'CL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHECL 8 " --> pdb=" O VALCL 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSCL 9 " --> pdb=" O ALACL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPCL 13 " --> pdb=" O LYSCL 9 " (cutoff:3.500A) Processing helix chain 'CM' and resid 2 through 17 Processing helix chain 'CN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSCN 9 " --> pdb=" O ALACN 5 " (cutoff:3.500A) Processing helix chain 'CO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSCO 17 " --> pdb=" O ASPCO 13 " (cutoff:3.500A) Processing helix chain 'CP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHECP 8 " --> pdb=" O VALCP 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSCP 9 " --> pdb=" O ALACP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPCP 13 " --> pdb=" O LYSCP 9 " (cutoff:3.500A) Processing helix chain 'CQ' and resid 2 through 17 Processing helix chain 'CR' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSCR 9 " --> pdb=" O ALACR 5 " (cutoff:3.500A) Processing helix chain 'CS' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSCS 17 " --> pdb=" O ASPCS 13 " (cutoff:3.500A) Processing helix chain 'CT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHECT 8 " --> pdb=" O VALCT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSCT 9 " --> pdb=" O ALACT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPCT 13 " --> pdb=" O LYSCT 9 " (cutoff:3.500A) Processing helix chain 'CU' and resid 2 through 17 Processing helix chain 'CV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSCV 9 " --> pdb=" O ALACV 5 " (cutoff:3.500A) Processing helix chain 'CW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSCW 17 " --> pdb=" O ASPCW 13 " (cutoff:3.500A) Processing helix chain 'CX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHECX 8 " --> pdb=" O VALCX 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSCX 9 " --> pdb=" O ALACX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPCX 13 " --> pdb=" O LYSCX 9 " (cutoff:3.500A) Processing helix chain 'CY' and resid 2 through 17 Processing helix chain 'CZ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSCZ 9 " --> pdb=" O ALACZ 5 " (cutoff:3.500A) Processing helix chain 'C0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSC0 17 " --> pdb=" O ASPC0 13 " (cutoff:3.500A) Processing helix chain 'C1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEC1 8 " --> pdb=" O VALC1 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSC1 9 " --> pdb=" O ALAC1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPC1 13 " --> pdb=" O LYSC1 9 " (cutoff:3.500A) Processing helix chain 'C2' and resid 2 through 17 Processing helix chain 'C3' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSC3 9 " --> pdb=" O ALAC3 5 " (cutoff:3.500A) Processing helix chain 'C4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSC4 17 " --> pdb=" O ASPC4 13 " (cutoff:3.500A) Processing helix chain 'C5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEC5 8 " --> pdb=" O VALC5 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSC5 9 " --> pdb=" O ALAC5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPC5 13 " --> pdb=" O LYSC5 9 " (cutoff:3.500A) Processing helix chain 'C6' and resid 2 through 17 Processing helix chain 'C7' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSC7 9 " --> pdb=" O ALAC7 5 " (cutoff:3.500A) Processing helix chain 'C8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSC8 17 " --> pdb=" O ASPC8 13 " (cutoff:3.500A) Processing helix chain 'C9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEC9 8 " --> pdb=" O VALC9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSC9 9 " --> pdb=" O ALAC9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPC9 13 " --> pdb=" O LYSC9 9 " (cutoff:3.500A) Processing helix chain 'DA' and resid 2 through 17 Processing helix chain 'DB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSDB 9 " --> pdb=" O ALADB 5 " (cutoff:3.500A) Processing helix chain 'DC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSDC 17 " --> pdb=" O ASPDC 13 " (cutoff:3.500A) Processing helix chain 'DD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEDD 8 " --> pdb=" O VALDD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSDD 9 " --> pdb=" O ALADD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPDD 13 " --> pdb=" O LYSDD 9 " (cutoff:3.500A) Processing helix chain 'DE' and resid 2 through 17 Processing helix chain 'DF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSDF 9 " --> pdb=" O ALADF 5 " (cutoff:3.500A) Processing helix chain 'DG' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSDG 17 " --> pdb=" O ASPDG 13 " (cutoff:3.500A) Processing helix chain 'DH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEDH 8 " --> pdb=" O VALDH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSDH 9 " --> pdb=" O ALADH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPDH 13 " --> pdb=" O LYSDH 9 " (cutoff:3.500A) Processing helix chain 'DI' and resid 2 through 17 Processing helix chain 'DJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSDJ 9 " --> pdb=" O ALADJ 5 " (cutoff:3.500A) Processing helix chain 'DK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSDK 17 " --> pdb=" O ASPDK 13 " (cutoff:3.500A) Processing helix chain 'DL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEDL 8 " --> pdb=" O VALDL 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSDL 9 " --> pdb=" O ALADL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPDL 13 " --> pdb=" O LYSDL 9 " (cutoff:3.500A) Processing helix chain 'DM' and resid 2 through 17 Processing helix chain 'DN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSDN 9 " --> pdb=" O ALADN 5 " (cutoff:3.500A) Processing helix chain 'DO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSDO 17 " --> pdb=" O ASPDO 13 " (cutoff:3.500A) Processing helix chain 'DP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEDP 8 " --> pdb=" O VALDP 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSDP 9 " --> pdb=" O ALADP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPDP 13 " --> pdb=" O LYSDP 9 " (cutoff:3.500A) Processing helix chain 'DQ' and resid 2 through 17 Processing helix chain 'DR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSDR 9 " --> pdb=" O ALADR 5 " (cutoff:3.500A) Processing helix chain 'DS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSDS 17 " --> pdb=" O ASPDS 13 " (cutoff:3.500A) Processing helix chain 'DT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEDT 8 " --> pdb=" O VALDT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSDT 9 " --> pdb=" O ALADT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPDT 13 " --> pdb=" O LYSDT 9 " (cutoff:3.500A) Processing helix chain 'DU' and resid 2 through 17 Processing helix chain 'DV' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSDV 9 " --> pdb=" O ALADV 5 " (cutoff:3.500A) Processing helix chain 'DW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSDW 17 " --> pdb=" O ASPDW 13 " (cutoff:3.500A) Processing helix chain 'DX' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEDX 8 " --> pdb=" O VALDX 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSDX 9 " --> pdb=" O ALADX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPDX 13 " --> pdb=" O LYSDX 9 " (cutoff:3.500A) Processing helix chain 'DY' and resid 2 through 17 Processing helix chain 'DZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSDZ 9 " --> pdb=" O ALADZ 5 " (cutoff:3.500A) Processing helix chain 'D0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSD0 17 " --> pdb=" O ASPD0 13 " (cutoff:3.500A) Processing helix chain 'D1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHED1 8 " --> pdb=" O VALD1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSD1 9 " --> pdb=" O ALAD1 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPD1 13 " --> pdb=" O LYSD1 9 " (cutoff:3.500A) Processing helix chain 'D2' and resid 2 through 17 Processing helix chain 'D3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSD3 9 " --> pdb=" O ALAD3 5 " (cutoff:3.500A) Processing helix chain 'D4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSD4 17 " --> pdb=" O ASPD4 13 " (cutoff:3.500A) Processing helix chain 'D5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHED5 8 " --> pdb=" O VALD5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSD5 9 " --> pdb=" O ALAD5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPD5 13 " --> pdb=" O LYSD5 9 " (cutoff:3.500A) Processing helix chain 'D6' and resid 2 through 17 Processing helix chain 'D7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSD7 9 " --> pdb=" O ALAD7 5 " (cutoff:3.500A) Processing helix chain 'D8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSD8 17 " --> pdb=" O ASPD8 13 " (cutoff:3.500A) Processing helix chain 'D9' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHED9 8 " --> pdb=" O VALD9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSD9 9 " --> pdb=" O ALAD9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPD9 13 " --> pdb=" O LYSD9 9 " (cutoff:3.500A) Processing helix chain 'EA' and resid 2 through 17 Processing helix chain 'EB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSEB 9 " --> pdb=" O ALAEB 5 " (cutoff:3.500A) Processing helix chain 'EC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSEC 17 " --> pdb=" O ASPEC 13 " (cutoff:3.500A) Processing helix chain 'ED' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEED 8 " --> pdb=" O VALED 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSED 9 " --> pdb=" O ALAED 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPED 13 " --> pdb=" O LYSED 9 " (cutoff:3.500A) Processing helix chain 'EE' and resid 2 through 17 Processing helix chain 'EF' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSEF 9 " --> pdb=" O ALAEF 5 " (cutoff:3.500A) Processing helix chain 'EG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSEG 17 " --> pdb=" O ASPEG 13 " (cutoff:3.500A) Processing helix chain 'EH' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEEH 8 " --> pdb=" O VALEH 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSEH 9 " --> pdb=" O ALAEH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPEH 13 " --> pdb=" O LYSEH 9 " (cutoff:3.500A) Processing helix chain 'EI' and resid 2 through 17 Processing helix chain 'EJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSEJ 9 " --> pdb=" O ALAEJ 5 " (cutoff:3.500A) Processing helix chain 'EK' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSEK 17 " --> pdb=" O ASPEK 13 " (cutoff:3.500A) Processing helix chain 'EL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEEL 8 " --> pdb=" O VALEL 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSEL 9 " --> pdb=" O ALAEL 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPEL 13 " --> pdb=" O LYSEL 9 " (cutoff:3.500A) Processing helix chain 'EM' and resid 2 through 17 Processing helix chain 'EN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSEN 9 " --> pdb=" O ALAEN 5 " (cutoff:3.500A) Processing helix chain 'EO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSEO 17 " --> pdb=" O ASPEO 13 " (cutoff:3.500A) Processing helix chain 'EP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEEP 8 " --> pdb=" O VALEP 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSEP 9 " --> pdb=" O ALAEP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPEP 13 " --> pdb=" O LYSEP 9 " (cutoff:3.500A) Processing helix chain 'EQ' and resid 2 through 17 Processing helix chain 'ER' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSER 9 " --> pdb=" O ALAER 5 " (cutoff:3.500A) Processing helix chain 'ES' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSES 17 " --> pdb=" O ASPES 13 " (cutoff:3.500A) Processing helix chain 'ET' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEET 8 " --> pdb=" O VALET 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSET 9 " --> pdb=" O ALAET 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPET 13 " --> pdb=" O LYSET 9 " (cutoff:3.500A) Processing helix chain 'EU' and resid 2 through 17 Processing helix chain 'EV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSEV 9 " --> pdb=" O ALAEV 5 " (cutoff:3.500A) Processing helix chain 'EW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSEW 17 " --> pdb=" O ASPEW 13 " (cutoff:3.500A) Processing helix chain 'EX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEEX 8 " --> pdb=" O VALEX 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSEX 9 " --> pdb=" O ALAEX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPEX 13 " --> pdb=" O LYSEX 9 " (cutoff:3.500A) Processing helix chain 'EY' and resid 2 through 17 Processing helix chain 'EZ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSEZ 9 " --> pdb=" O ALAEZ 5 " (cutoff:3.500A) Processing helix chain 'E0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSE0 17 " --> pdb=" O ASPE0 13 " (cutoff:3.500A) Processing helix chain 'E1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEE1 8 " --> pdb=" O VALE1 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSE1 9 " --> pdb=" O ALAE1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPE1 13 " --> pdb=" O LYSE1 9 " (cutoff:3.500A) Processing helix chain 'E2' and resid 2 through 17 Processing helix chain 'E3' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSE3 9 " --> pdb=" O ALAE3 5 " (cutoff:3.500A) Processing helix chain 'E4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSE4 17 " --> pdb=" O ASPE4 13 " (cutoff:3.500A) Processing helix chain 'E5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEE5 8 " --> pdb=" O VALE5 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSE5 9 " --> pdb=" O ALAE5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPE5 13 " --> pdb=" O LYSE5 9 " (cutoff:3.500A) Processing helix chain 'E6' and resid 2 through 17 Processing helix chain 'E7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSE7 9 " --> pdb=" O ALAE7 5 " (cutoff:3.500A) Processing helix chain 'E8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSE8 17 " --> pdb=" O ASPE8 13 " (cutoff:3.500A) Processing helix chain 'E9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEE9 8 " --> pdb=" O VALE9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSE9 9 " --> pdb=" O ALAE9 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPE9 13 " --> pdb=" O LYSE9 9 " (cutoff:3.500A) Processing helix chain 'FA' and resid 2 through 17 Processing helix chain 'FB' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSFB 9 " --> pdb=" O ALAFB 5 " (cutoff:3.500A) Processing helix chain 'FC' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSFC 17 " --> pdb=" O ASPFC 13 " (cutoff:3.500A) Processing helix chain 'FD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEFD 8 " --> pdb=" O VALFD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSFD 9 " --> pdb=" O ALAFD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPFD 13 " --> pdb=" O LYSFD 9 " (cutoff:3.500A) Processing helix chain 'FE' and resid 2 through 17 Processing helix chain 'FF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSFF 9 " --> pdb=" O ALAFF 5 " (cutoff:3.500A) Processing helix chain 'FG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSFG 17 " --> pdb=" O ASPFG 13 " (cutoff:3.500A) Processing helix chain 'FH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEFH 8 " --> pdb=" O VALFH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSFH 9 " --> pdb=" O ALAFH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPFH 13 " --> pdb=" O LYSFH 9 " (cutoff:3.500A) Processing helix chain 'FI' and resid 2 through 17 Processing helix chain 'FJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSFJ 9 " --> pdb=" O ALAFJ 5 " (cutoff:3.500A) Processing helix chain 'FK' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSFK 17 " --> pdb=" O ASPFK 13 " (cutoff:3.500A) Processing helix chain 'FL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEFL 8 " --> pdb=" O VALFL 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSFL 9 " --> pdb=" O ALAFL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPFL 13 " --> pdb=" O LYSFL 9 " (cutoff:3.500A) Processing helix chain 'FM' and resid 2 through 17 Processing helix chain 'FN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSFN 9 " --> pdb=" O ALAFN 5 " (cutoff:3.500A) Processing helix chain 'FO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSFO 17 " --> pdb=" O ASPFO 13 " (cutoff:3.500A) Processing helix chain 'FP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEFP 8 " --> pdb=" O VALFP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSFP 9 " --> pdb=" O ALAFP 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPFP 13 " --> pdb=" O LYSFP 9 " (cutoff:3.500A) Processing helix chain 'FQ' and resid 2 through 17 Processing helix chain 'FR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSFR 9 " --> pdb=" O ALAFR 5 " (cutoff:3.500A) Processing helix chain 'FS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSFS 17 " --> pdb=" O ASPFS 13 " (cutoff:3.500A) Processing helix chain 'FT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEFT 8 " --> pdb=" O VALFT 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSFT 9 " --> pdb=" O ALAFT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPFT 13 " --> pdb=" O LYSFT 9 " (cutoff:3.500A) Processing helix chain 'FU' and resid 2 through 17 Processing helix chain 'FV' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSFV 9 " --> pdb=" O ALAFV 5 " (cutoff:3.500A) Processing helix chain 'FW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSFW 17 " --> pdb=" O ASPFW 13 " (cutoff:3.500A) Processing helix chain 'FX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEFX 8 " --> pdb=" O VALFX 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSFX 9 " --> pdb=" O ALAFX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPFX 13 " --> pdb=" O LYSFX 9 " (cutoff:3.500A) Processing helix chain 'FY' and resid 2 through 17 Processing helix chain 'FZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSFZ 9 " --> pdb=" O ALAFZ 5 " (cutoff:3.500A) Processing helix chain 'F0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSF0 17 " --> pdb=" O ASPF0 13 " (cutoff:3.500A) Processing helix chain 'F1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEF1 8 " --> pdb=" O VALF1 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSF1 9 " --> pdb=" O ALAF1 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPF1 13 " --> pdb=" O LYSF1 9 " (cutoff:3.500A) Processing helix chain 'F2' and resid 2 through 17 Processing helix chain 'F3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSF3 9 " --> pdb=" O ALAF3 5 " (cutoff:3.500A) Processing helix chain 'F4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSF4 17 " --> pdb=" O ASPF4 13 " (cutoff:3.500A) Processing helix chain 'F5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEF5 8 " --> pdb=" O VALF5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSF5 9 " --> pdb=" O ALAF5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPF5 13 " --> pdb=" O LYSF5 9 " (cutoff:3.500A) Processing helix chain 'F6' and resid 2 through 17 Processing helix chain 'F7' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSF7 9 " --> pdb=" O ALAF7 5 " (cutoff:3.500A) Processing helix chain 'F8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSF8 17 " --> pdb=" O ASPF8 13 " (cutoff:3.500A) Processing helix chain 'F9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEF9 8 " --> pdb=" O VALF9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSF9 9 " --> pdb=" O ALAF9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPF9 13 " --> pdb=" O LYSF9 9 " (cutoff:3.500A) Processing helix chain 'GA' and resid 2 through 17 Processing helix chain 'GB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSGB 9 " --> pdb=" O ALAGB 5 " (cutoff:3.500A) Processing helix chain 'GC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSGC 17 " --> pdb=" O ASPGC 13 " (cutoff:3.500A) Processing helix chain 'GD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEGD 8 " --> pdb=" O VALGD 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSGD 9 " --> pdb=" O ALAGD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPGD 13 " --> pdb=" O LYSGD 9 " (cutoff:3.500A) Processing helix chain 'GE' and resid 2 through 17 Processing helix chain 'GF' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSGF 9 " --> pdb=" O ALAGF 5 " (cutoff:3.500A) Processing helix chain 'GG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSGG 17 " --> pdb=" O ASPGG 13 " (cutoff:3.500A) Processing helix chain 'GH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEGH 8 " --> pdb=" O VALGH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSGH 9 " --> pdb=" O ALAGH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPGH 13 " --> pdb=" O LYSGH 9 " (cutoff:3.500A) Processing helix chain 'GI' and resid 2 through 17 Processing helix chain 'GJ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSGJ 9 " --> pdb=" O ALAGJ 5 " (cutoff:3.500A) Processing helix chain 'GK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSGK 17 " --> pdb=" O ASPGK 13 " (cutoff:3.500A) Processing helix chain 'GL' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEGL 8 " --> pdb=" O VALGL 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSGL 9 " --> pdb=" O ALAGL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPGL 13 " --> pdb=" O LYSGL 9 " (cutoff:3.500A) Processing helix chain 'GM' and resid 2 through 17 Processing helix chain 'GN' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSGN 9 " --> pdb=" O ALAGN 5 " (cutoff:3.500A) Processing helix chain 'GO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSGO 17 " --> pdb=" O ASPGO 13 " (cutoff:3.500A) Processing helix chain 'GP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEGP 8 " --> pdb=" O VALGP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSGP 9 " --> pdb=" O ALAGP 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPGP 13 " --> pdb=" O LYSGP 9 " (cutoff:3.500A) Processing helix chain 'GQ' and resid 2 through 17 Processing helix chain 'GR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSGR 9 " --> pdb=" O ALAGR 5 " (cutoff:3.500A) Processing helix chain 'GS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSGS 17 " --> pdb=" O ASPGS 13 " (cutoff:3.500A) Processing helix chain 'GT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEGT 8 " --> pdb=" O VALGT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSGT 9 " --> pdb=" O ALAGT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPGT 13 " --> pdb=" O LYSGT 9 " (cutoff:3.500A) Processing helix chain 'GU' and resid 2 through 17 Processing helix chain 'GV' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSGV 9 " --> pdb=" O ALAGV 5 " (cutoff:3.500A) Processing helix chain 'GW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSGW 17 " --> pdb=" O ASPGW 13 " (cutoff:3.500A) Processing helix chain 'GX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEGX 8 " --> pdb=" O VALGX 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSGX 9 " --> pdb=" O ALAGX 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPGX 13 " --> pdb=" O LYSGX 9 " (cutoff:3.500A) Processing helix chain 'GY' and resid 2 through 17 Processing helix chain 'GZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSGZ 9 " --> pdb=" O ALAGZ 5 " (cutoff:3.500A) Processing helix chain 'G0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSG0 17 " --> pdb=" O ASPG0 13 " (cutoff:3.500A) Processing helix chain 'G1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEG1 8 " --> pdb=" O VALG1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSG1 9 " --> pdb=" O ALAG1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPG1 13 " --> pdb=" O LYSG1 9 " (cutoff:3.500A) Processing helix chain 'G2' and resid 2 through 17 Processing helix chain 'G3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSG3 9 " --> pdb=" O ALAG3 5 " (cutoff:3.500A) Processing helix chain 'G4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSG4 17 " --> pdb=" O ASPG4 13 " (cutoff:3.500A) Processing helix chain 'G5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEG5 8 " --> pdb=" O VALG5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSG5 9 " --> pdb=" O ALAG5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPG5 13 " --> pdb=" O LYSG5 9 " (cutoff:3.500A) Processing helix chain 'G6' and resid 2 through 17 Processing helix chain 'G7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSG7 9 " --> pdb=" O ALAG7 5 " (cutoff:3.500A) Processing helix chain 'G8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSG8 17 " --> pdb=" O ASPG8 13 " (cutoff:3.500A) Processing helix chain 'G9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEG9 8 " --> pdb=" O VALG9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSG9 9 " --> pdb=" O ALAG9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPG9 13 " --> pdb=" O LYSG9 9 " (cutoff:3.500A) Processing helix chain 'HA' and resid 2 through 17 Processing helix chain 'HB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSHB 9 " --> pdb=" O ALAHB 5 " (cutoff:3.500A) Processing helix chain 'HC' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSHC 17 " --> pdb=" O ASPHC 13 " (cutoff:3.500A) Processing helix chain 'HD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEHD 8 " --> pdb=" O VALHD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSHD 9 " --> pdb=" O ALAHD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPHD 13 " --> pdb=" O LYSHD 9 " (cutoff:3.500A) Processing helix chain 'HE' and resid 2 through 17 Processing helix chain 'HF' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSHF 9 " --> pdb=" O ALAHF 5 " (cutoff:3.500A) Processing helix chain 'HG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSHG 17 " --> pdb=" O ASPHG 13 " (cutoff:3.500A) Processing helix chain 'HH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEHH 8 " --> pdb=" O VALHH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSHH 9 " --> pdb=" O ALAHH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPHH 13 " --> pdb=" O LYSHH 9 " (cutoff:3.500A) Processing helix chain 'HI' and resid 2 through 17 Processing helix chain 'HJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSHJ 9 " --> pdb=" O ALAHJ 5 " (cutoff:3.500A) Processing helix chain 'HK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSHK 17 " --> pdb=" O ASPHK 13 " (cutoff:3.500A) Processing helix chain 'HL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEHL 8 " --> pdb=" O VALHL 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSHL 9 " --> pdb=" O ALAHL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPHL 13 " --> pdb=" O LYSHL 9 " (cutoff:3.500A) Processing helix chain 'HM' and resid 2 through 17 Processing helix chain 'HN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSHN 9 " --> pdb=" O ALAHN 5 " (cutoff:3.500A) Processing helix chain 'HO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSHO 17 " --> pdb=" O ASPHO 13 " (cutoff:3.500A) Processing helix chain 'HP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEHP 8 " --> pdb=" O VALHP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSHP 9 " --> pdb=" O ALAHP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPHP 13 " --> pdb=" O LYSHP 9 " (cutoff:3.500A) Processing helix chain 'HQ' and resid 2 through 17 Processing helix chain 'HR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSHR 9 " --> pdb=" O ALAHR 5 " (cutoff:3.500A) Processing helix chain 'HS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSHS 17 " --> pdb=" O ASPHS 13 " (cutoff:3.500A) Processing helix chain 'HT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEHT 8 " --> pdb=" O VALHT 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSHT 9 " --> pdb=" O ALAHT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPHT 13 " --> pdb=" O LYSHT 9 " (cutoff:3.500A) Processing helix chain 'HU' and resid 2 through 17 Processing helix chain 'HV' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSHV 9 " --> pdb=" O ALAHV 5 " (cutoff:3.500A) Processing helix chain 'HW' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSHW 17 " --> pdb=" O ASPHW 13 " (cutoff:3.500A) Processing helix chain 'HX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEHX 8 " --> pdb=" O VALHX 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSHX 9 " --> pdb=" O ALAHX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPHX 13 " --> pdb=" O LYSHX 9 " (cutoff:3.500A) Processing helix chain 'HY' and resid 2 through 17 Processing helix chain 'HZ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSHZ 9 " --> pdb=" O ALAHZ 5 " (cutoff:3.500A) Processing helix chain 'H0' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSH0 17 " --> pdb=" O ASPH0 13 " (cutoff:3.500A) Processing helix chain 'H1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEH1 8 " --> pdb=" O VALH1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSH1 9 " --> pdb=" O ALAH1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPH1 13 " --> pdb=" O LYSH1 9 " (cutoff:3.500A) Processing helix chain 'H2' and resid 2 through 17 Processing helix chain 'H3' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSH3 9 " --> pdb=" O ALAH3 5 " (cutoff:3.500A) Processing helix chain 'H4' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSH4 17 " --> pdb=" O ASPH4 13 " (cutoff:3.500A) Processing helix chain 'H5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEH5 8 " --> pdb=" O VALH5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSH5 9 " --> pdb=" O ALAH5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPH5 13 " --> pdb=" O LYSH5 9 " (cutoff:3.500A) Processing helix chain 'H6' and resid 2 through 17 Processing helix chain 'H7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSH7 9 " --> pdb=" O ALAH7 5 " (cutoff:3.500A) Processing helix chain 'H8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSH8 17 " --> pdb=" O ASPH8 13 " (cutoff:3.500A) Processing helix chain 'H9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEH9 8 " --> pdb=" O VALH9 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSH9 9 " --> pdb=" O ALAH9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPH9 13 " --> pdb=" O LYSH9 9 " (cutoff:3.500A) Processing helix chain 'IA' and resid 2 through 17 Processing helix chain 'IB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSIB 9 " --> pdb=" O ALAIB 5 " (cutoff:3.500A) Processing helix chain 'IC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSIC 17 " --> pdb=" O ASPIC 13 " (cutoff:3.500A) Processing helix chain 'ID' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEID 8 " --> pdb=" O VALID 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSID 9 " --> pdb=" O ALAID 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPID 13 " --> pdb=" O LYSID 9 " (cutoff:3.500A) Processing helix chain 'IE' and resid 2 through 17 Processing helix chain 'IF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSIF 9 " --> pdb=" O ALAIF 5 " (cutoff:3.500A) Processing helix chain 'IG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSIG 17 " --> pdb=" O ASPIG 13 " (cutoff:3.500A) Processing helix chain 'IH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEIH 8 " --> pdb=" O VALIH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSIH 9 " --> pdb=" O ALAIH 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPIH 13 " --> pdb=" O LYSIH 9 " (cutoff:3.500A) Processing helix chain 'II' and resid 2 through 17 Processing helix chain 'IJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSIJ 9 " --> pdb=" O ALAIJ 5 " (cutoff:3.500A) Processing helix chain 'IK' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSIK 17 " --> pdb=" O ASPIK 13 " (cutoff:3.500A) Processing helix chain 'IL' and resid 2 through 19 removed outlier: 3.505A pdb=" N PHEIL 8 " --> pdb=" O VALIL 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSIL 9 " --> pdb=" O ALAIL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPIL 13 " --> pdb=" O LYSIL 9 " (cutoff:3.500A) Processing helix chain 'IM' and resid 2 through 17 Processing helix chain 'IN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSIN 9 " --> pdb=" O ALAIN 5 " (cutoff:3.500A) Processing helix chain 'IO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSIO 17 " --> pdb=" O ASPIO 13 " (cutoff:3.500A) Processing helix chain 'IP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEIP 8 " --> pdb=" O VALIP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSIP 9 " --> pdb=" O ALAIP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPIP 13 " --> pdb=" O LYSIP 9 " (cutoff:3.500A) Processing helix chain 'IQ' and resid 2 through 17 Processing helix chain 'IR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSIR 9 " --> pdb=" O ALAIR 5 " (cutoff:3.500A) Processing helix chain 'IS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSIS 17 " --> pdb=" O ASPIS 13 " (cutoff:3.500A) Processing helix chain 'IT' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEIT 8 " --> pdb=" O VALIT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSIT 9 " --> pdb=" O ALAIT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPIT 13 " --> pdb=" O LYSIT 9 " (cutoff:3.500A) Processing helix chain 'IU' and resid 2 through 17 Processing helix chain 'IV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSIV 9 " --> pdb=" O ALAIV 5 " (cutoff:3.500A) Processing helix chain 'IW' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSIW 17 " --> pdb=" O ASPIW 13 " (cutoff:3.500A) Processing helix chain 'IX' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEIX 8 " --> pdb=" O VALIX 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSIX 9 " --> pdb=" O ALAIX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPIX 13 " --> pdb=" O LYSIX 9 " (cutoff:3.500A) Processing helix chain 'IY' and resid 2 through 17 Processing helix chain 'IZ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSIZ 9 " --> pdb=" O ALAIZ 5 " (cutoff:3.500A) Processing helix chain 'I0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSI0 17 " --> pdb=" O ASPI0 13 " (cutoff:3.500A) Processing helix chain 'I1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEI1 8 " --> pdb=" O VALI1 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSI1 9 " --> pdb=" O ALAI1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPI1 13 " --> pdb=" O LYSI1 9 " (cutoff:3.500A) Processing helix chain 'I2' and resid 2 through 17 Processing helix chain 'I3' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSI3 9 " --> pdb=" O ALAI3 5 " (cutoff:3.500A) Processing helix chain 'I4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSI4 17 " --> pdb=" O ASPI4 13 " (cutoff:3.500A) Processing helix chain 'I5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEI5 8 " --> pdb=" O VALI5 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSI5 9 " --> pdb=" O ALAI5 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPI5 13 " --> pdb=" O LYSI5 9 " (cutoff:3.500A) Processing helix chain 'I6' and resid 2 through 17 Processing helix chain 'I7' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSI7 9 " --> pdb=" O ALAI7 5 " (cutoff:3.500A) Processing helix chain 'I8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSI8 17 " --> pdb=" O ASPI8 13 " (cutoff:3.500A) Processing helix chain 'I9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEI9 8 " --> pdb=" O VALI9 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSI9 9 " --> pdb=" O ALAI9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPI9 13 " --> pdb=" O LYSI9 9 " (cutoff:3.500A) Processing helix chain 'JA' and resid 2 through 17 Processing helix chain 'JB' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSJB 9 " --> pdb=" O ALAJB 5 " (cutoff:3.500A) Processing helix chain 'JC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSJC 17 " --> pdb=" O ASPJC 13 " (cutoff:3.500A) Processing helix chain 'JD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEJD 8 " --> pdb=" O VALJD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSJD 9 " --> pdb=" O ALAJD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPJD 13 " --> pdb=" O LYSJD 9 " (cutoff:3.500A) Processing helix chain 'JE' and resid 2 through 17 Processing helix chain 'JF' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSJF 9 " --> pdb=" O ALAJF 5 " (cutoff:3.500A) Processing helix chain 'JG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSJG 17 " --> pdb=" O ASPJG 13 " (cutoff:3.500A) Processing helix chain 'JH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEJH 8 " --> pdb=" O VALJH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSJH 9 " --> pdb=" O ALAJH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPJH 13 " --> pdb=" O LYSJH 9 " (cutoff:3.500A) Processing helix chain 'JI' and resid 2 through 17 Processing helix chain 'JJ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSJJ 9 " --> pdb=" O ALAJJ 5 " (cutoff:3.500A) Processing helix chain 'JK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSJK 17 " --> pdb=" O ASPJK 13 " (cutoff:3.500A) Processing helix chain 'JL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEJL 8 " --> pdb=" O VALJL 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSJL 9 " --> pdb=" O ALAJL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPJL 13 " --> pdb=" O LYSJL 9 " (cutoff:3.500A) Processing helix chain 'JM' and resid 2 through 17 Processing helix chain 'JN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSJN 9 " --> pdb=" O ALAJN 5 " (cutoff:3.500A) Processing helix chain 'JO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSJO 17 " --> pdb=" O ASPJO 13 " (cutoff:3.500A) Processing helix chain 'JP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEJP 8 " --> pdb=" O VALJP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSJP 9 " --> pdb=" O ALAJP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPJP 13 " --> pdb=" O LYSJP 9 " (cutoff:3.500A) Processing helix chain 'JQ' and resid 2 through 17 Processing helix chain 'JR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSJR 9 " --> pdb=" O ALAJR 5 " (cutoff:3.500A) Processing helix chain 'JS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSJS 17 " --> pdb=" O ASPJS 13 " (cutoff:3.500A) Processing helix chain 'JT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEJT 8 " --> pdb=" O VALJT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSJT 9 " --> pdb=" O ALAJT 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPJT 13 " --> pdb=" O LYSJT 9 " (cutoff:3.500A) Processing helix chain 'JU' and resid 2 through 17 Processing helix chain 'JV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSJV 9 " --> pdb=" O ALAJV 5 " (cutoff:3.500A) Processing helix chain 'JW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSJW 17 " --> pdb=" O ASPJW 13 " (cutoff:3.500A) Processing helix chain 'JX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEJX 8 " --> pdb=" O VALJX 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSJX 9 " --> pdb=" O ALAJX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPJX 13 " --> pdb=" O LYSJX 9 " (cutoff:3.500A) Processing helix chain 'JY' and resid 2 through 17 Processing helix chain 'JZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSJZ 9 " --> pdb=" O ALAJZ 5 " (cutoff:3.500A) Processing helix chain 'J0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSJ0 17 " --> pdb=" O ASPJ0 13 " (cutoff:3.500A) Processing helix chain 'J1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEJ1 8 " --> pdb=" O VALJ1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSJ1 9 " --> pdb=" O ALAJ1 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPJ1 13 " --> pdb=" O LYSJ1 9 " (cutoff:3.500A) Processing helix chain 'J2' and resid 2 through 17 Processing helix chain 'J3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSJ3 9 " --> pdb=" O ALAJ3 5 " (cutoff:3.500A) Processing helix chain 'J4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSJ4 17 " --> pdb=" O ASPJ4 13 " (cutoff:3.500A) Processing helix chain 'J5' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEJ5 8 " --> pdb=" O VALJ5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSJ5 9 " --> pdb=" O ALAJ5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPJ5 13 " --> pdb=" O LYSJ5 9 " (cutoff:3.500A) Processing helix chain 'J6' and resid 2 through 17 Processing helix chain 'J7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSJ7 9 " --> pdb=" O ALAJ7 5 " (cutoff:3.500A) Processing helix chain 'J8' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSJ8 17 " --> pdb=" O ASPJ8 13 " (cutoff:3.500A) Processing helix chain 'J9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEJ9 8 " --> pdb=" O VALJ9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSJ9 9 " --> pdb=" O ALAJ9 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPJ9 13 " --> pdb=" O LYSJ9 9 " (cutoff:3.500A) Processing helix chain 'KA' and resid 2 through 17 Processing helix chain 'KB' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSKB 9 " --> pdb=" O ALAKB 5 " (cutoff:3.500A) Processing helix chain 'KC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSKC 17 " --> pdb=" O ASPKC 13 " (cutoff:3.500A) Processing helix chain 'KD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEKD 8 " --> pdb=" O VALKD 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSKD 9 " --> pdb=" O ALAKD 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPKD 13 " --> pdb=" O LYSKD 9 " (cutoff:3.500A) Processing helix chain 'KE' and resid 2 through 17 Processing helix chain 'KF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSKF 9 " --> pdb=" O ALAKF 5 " (cutoff:3.500A) Processing helix chain 'KG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSKG 17 " --> pdb=" O ASPKG 13 " (cutoff:3.500A) Processing helix chain 'KH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEKH 8 " --> pdb=" O VALKH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSKH 9 " --> pdb=" O ALAKH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPKH 13 " --> pdb=" O LYSKH 9 " (cutoff:3.500A) Processing helix chain 'KI' and resid 2 through 17 Processing helix chain 'KJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSKJ 9 " --> pdb=" O ALAKJ 5 " (cutoff:3.500A) Processing helix chain 'KK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSKK 17 " --> pdb=" O ASPKK 13 " (cutoff:3.500A) Processing helix chain 'KL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEKL 8 " --> pdb=" O VALKL 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSKL 9 " --> pdb=" O ALAKL 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPKL 13 " --> pdb=" O LYSKL 9 " (cutoff:3.500A) Processing helix chain 'KM' and resid 2 through 17 Processing helix chain 'KN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSKN 9 " --> pdb=" O ALAKN 5 " (cutoff:3.500A) Processing helix chain 'KO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSKO 17 " --> pdb=" O ASPKO 13 " (cutoff:3.500A) Processing helix chain 'KP' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEKP 8 " --> pdb=" O VALKP 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSKP 9 " --> pdb=" O ALAKP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPKP 13 " --> pdb=" O LYSKP 9 " (cutoff:3.500A) Processing helix chain 'KQ' and resid 2 through 17 Processing helix chain 'KR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSKR 9 " --> pdb=" O ALAKR 5 " (cutoff:3.500A) Processing helix chain 'KS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSKS 17 " --> pdb=" O ASPKS 13 " (cutoff:3.500A) Processing helix chain 'KT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEKT 8 " --> pdb=" O VALKT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSKT 9 " --> pdb=" O ALAKT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPKT 13 " --> pdb=" O LYSKT 9 " (cutoff:3.500A) Processing helix chain 'KU' and resid 2 through 17 Processing helix chain 'KV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSKV 9 " --> pdb=" O ALAKV 5 " (cutoff:3.500A) Processing helix chain 'KW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSKW 17 " --> pdb=" O ASPKW 13 " (cutoff:3.500A) Processing helix chain 'KX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEKX 8 " --> pdb=" O VALKX 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSKX 9 " --> pdb=" O ALAKX 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPKX 13 " --> pdb=" O LYSKX 9 " (cutoff:3.500A) Processing helix chain 'KY' and resid 2 through 17 Processing helix chain 'KZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSKZ 9 " --> pdb=" O ALAKZ 5 " (cutoff:3.500A) Processing helix chain 'K0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSK0 17 " --> pdb=" O ASPK0 13 " (cutoff:3.500A) Processing helix chain 'K1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEK1 8 " --> pdb=" O VALK1 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSK1 9 " --> pdb=" O ALAK1 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPK1 13 " --> pdb=" O LYSK1 9 " (cutoff:3.500A) Processing helix chain 'K2' and resid 2 through 17 Processing helix chain 'K3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSK3 9 " --> pdb=" O ALAK3 5 " (cutoff:3.500A) Processing helix chain 'K4' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSK4 17 " --> pdb=" O ASPK4 13 " (cutoff:3.500A) Processing helix chain 'K5' and resid 2 through 19 removed outlier: 3.505A pdb=" N PHEK5 8 " --> pdb=" O VALK5 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSK5 9 " --> pdb=" O ALAK5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPK5 13 " --> pdb=" O LYSK5 9 " (cutoff:3.500A) Processing helix chain 'K6' and resid 2 through 17 Processing helix chain 'K7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSK7 9 " --> pdb=" O ALAK7 5 " (cutoff:3.500A) Processing helix chain 'K8' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSK8 17 " --> pdb=" O ASPK8 13 " (cutoff:3.500A) Processing helix chain 'K9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEK9 8 " --> pdb=" O VALK9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSK9 9 " --> pdb=" O ALAK9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPK9 13 " --> pdb=" O LYSK9 9 " (cutoff:3.500A) Processing helix chain 'LA' and resid 2 through 17 Processing helix chain 'LB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSLB 9 " --> pdb=" O ALALB 5 " (cutoff:3.500A) Processing helix chain 'LC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSLC 17 " --> pdb=" O ASPLC 13 " (cutoff:3.500A) Processing helix chain 'LD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHELD 8 " --> pdb=" O VALLD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSLD 9 " --> pdb=" O ALALD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPLD 13 " --> pdb=" O LYSLD 9 " (cutoff:3.500A) Processing helix chain 'LE' and resid 2 through 17 Processing helix chain 'LF' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSLF 9 " --> pdb=" O ALALF 5 " (cutoff:3.500A) Processing helix chain 'LG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSLG 17 " --> pdb=" O ASPLG 13 " (cutoff:3.500A) Processing helix chain 'LH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHELH 8 " --> pdb=" O VALLH 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSLH 9 " --> pdb=" O ALALH 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPLH 13 " --> pdb=" O LYSLH 9 " (cutoff:3.500A) Processing helix chain 'LI' and resid 2 through 17 Processing helix chain 'LJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSLJ 9 " --> pdb=" O ALALJ 5 " (cutoff:3.500A) Processing helix chain 'LK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSLK 17 " --> pdb=" O ASPLK 13 " (cutoff:3.500A) Processing helix chain 'LL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHELL 8 " --> pdb=" O VALLL 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSLL 9 " --> pdb=" O ALALL 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPLL 13 " --> pdb=" O LYSLL 9 " (cutoff:3.500A) Processing helix chain 'LM' and resid 2 through 17 Processing helix chain 'LN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSLN 9 " --> pdb=" O ALALN 5 " (cutoff:3.500A) Processing helix chain 'LO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSLO 17 " --> pdb=" O ASPLO 13 " (cutoff:3.500A) Processing helix chain 'LP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHELP 8 " --> pdb=" O VALLP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSLP 9 " --> pdb=" O ALALP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPLP 13 " --> pdb=" O LYSLP 9 " (cutoff:3.500A) Processing helix chain 'LQ' and resid 2 through 17 Processing helix chain 'LR' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSLR 9 " --> pdb=" O ALALR 5 " (cutoff:3.500A) Processing helix chain 'LS' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSLS 17 " --> pdb=" O ASPLS 13 " (cutoff:3.500A) Processing helix chain 'LT' and resid 2 through 19 removed outlier: 3.505A pdb=" N PHELT 8 " --> pdb=" O VALLT 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSLT 9 " --> pdb=" O ALALT 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPLT 13 " --> pdb=" O LYSLT 9 " (cutoff:3.500A) Processing helix chain 'LU' and resid 2 through 17 Processing helix chain 'LV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSLV 9 " --> pdb=" O ALALV 5 " (cutoff:3.500A) Processing helix chain 'LW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSLW 17 " --> pdb=" O ASPLW 13 " (cutoff:3.500A) Processing helix chain 'LX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHELX 8 " --> pdb=" O VALLX 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSLX 9 " --> pdb=" O ALALX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPLX 13 " --> pdb=" O LYSLX 9 " (cutoff:3.500A) Processing helix chain 'LY' and resid 2 through 17 Processing helix chain 'LZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSLZ 9 " --> pdb=" O ALALZ 5 " (cutoff:3.500A) Processing helix chain 'L0' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSL0 17 " --> pdb=" O ASPL0 13 " (cutoff:3.500A) Processing helix chain 'L1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEL1 8 " --> pdb=" O VALL1 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSL1 9 " --> pdb=" O ALAL1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPL1 13 " --> pdb=" O LYSL1 9 " (cutoff:3.500A) Processing helix chain 'L2' and resid 2 through 17 Processing helix chain 'L3' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSL3 9 " --> pdb=" O ALAL3 5 " (cutoff:3.500A) Processing helix chain 'L4' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSL4 17 " --> pdb=" O ASPL4 13 " (cutoff:3.500A) Processing helix chain 'L5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEL5 8 " --> pdb=" O VALL5 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSL5 9 " --> pdb=" O ALAL5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPL5 13 " --> pdb=" O LYSL5 9 " (cutoff:3.500A) Processing helix chain 'L6' and resid 2 through 17 Processing helix chain 'L7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSL7 9 " --> pdb=" O ALAL7 5 " (cutoff:3.500A) Processing helix chain 'L8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSL8 17 " --> pdb=" O ASPL8 13 " (cutoff:3.500A) Processing helix chain 'L9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEL9 8 " --> pdb=" O VALL9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSL9 9 " --> pdb=" O ALAL9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPL9 13 " --> pdb=" O LYSL9 9 " (cutoff:3.500A) Processing helix chain 'MA' and resid 2 through 17 Processing helix chain 'MB' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSMB 9 " --> pdb=" O ALAMB 5 " (cutoff:3.500A) Processing helix chain 'MC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSMC 17 " --> pdb=" O ASPMC 13 " (cutoff:3.500A) Processing helix chain 'MD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEMD 8 " --> pdb=" O VALMD 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSMD 9 " --> pdb=" O ALAMD 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPMD 13 " --> pdb=" O LYSMD 9 " (cutoff:3.500A) Processing helix chain 'ME' and resid 2 through 17 Processing helix chain 'MF' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSMF 9 " --> pdb=" O ALAMF 5 " (cutoff:3.500A) Processing helix chain 'MG' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSMG 17 " --> pdb=" O ASPMG 13 " (cutoff:3.500A) Processing helix chain 'MH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEMH 8 " --> pdb=" O VALMH 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSMH 9 " --> pdb=" O ALAMH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPMH 13 " --> pdb=" O LYSMH 9 " (cutoff:3.500A) Processing helix chain 'MI' and resid 2 through 17 Processing helix chain 'MJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSMJ 9 " --> pdb=" O ALAMJ 5 " (cutoff:3.500A) Processing helix chain 'MK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSMK 17 " --> pdb=" O ASPMK 13 " (cutoff:3.500A) Processing helix chain 'ML' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEML 8 " --> pdb=" O VALML 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSML 9 " --> pdb=" O ALAML 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPML 13 " --> pdb=" O LYSML 9 " (cutoff:3.500A) Processing helix chain 'MM' and resid 2 through 17 Processing helix chain 'MN' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSMN 9 " --> pdb=" O ALAMN 5 " (cutoff:3.500A) Processing helix chain 'MO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSMO 17 " --> pdb=" O ASPMO 13 " (cutoff:3.500A) Processing helix chain 'MP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEMP 8 " --> pdb=" O VALMP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSMP 9 " --> pdb=" O ALAMP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPMP 13 " --> pdb=" O LYSMP 9 " (cutoff:3.500A) Processing helix chain 'MQ' and resid 2 through 17 Processing helix chain 'MR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSMR 9 " --> pdb=" O ALAMR 5 " (cutoff:3.500A) Processing helix chain 'MS' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSMS 17 " --> pdb=" O ASPMS 13 " (cutoff:3.500A) Processing helix chain 'MT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEMT 8 " --> pdb=" O VALMT 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSMT 9 " --> pdb=" O ALAMT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPMT 13 " --> pdb=" O LYSMT 9 " (cutoff:3.500A) Processing helix chain 'MU' and resid 2 through 17 Processing helix chain 'MV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSMV 9 " --> pdb=" O ALAMV 5 " (cutoff:3.500A) Processing helix chain 'MW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSMW 17 " --> pdb=" O ASPMW 13 " (cutoff:3.500A) Processing helix chain 'MX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEMX 8 " --> pdb=" O VALMX 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSMX 9 " --> pdb=" O ALAMX 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPMX 13 " --> pdb=" O LYSMX 9 " (cutoff:3.500A) Processing helix chain 'MY' and resid 2 through 17 Processing helix chain 'MZ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSMZ 9 " --> pdb=" O ALAMZ 5 " (cutoff:3.500A) Processing helix chain 'M0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSM0 17 " --> pdb=" O ASPM0 13 " (cutoff:3.500A) Processing helix chain 'M1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEM1 8 " --> pdb=" O VALM1 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSM1 9 " --> pdb=" O ALAM1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPM1 13 " --> pdb=" O LYSM1 9 " (cutoff:3.500A) Processing helix chain 'M2' and resid 2 through 17 Processing helix chain 'M3' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSM3 9 " --> pdb=" O ALAM3 5 " (cutoff:3.500A) Processing helix chain 'M4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSM4 17 " --> pdb=" O ASPM4 13 " (cutoff:3.500A) Processing helix chain 'M5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEM5 8 " --> pdb=" O VALM5 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSM5 9 " --> pdb=" O ALAM5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPM5 13 " --> pdb=" O LYSM5 9 " (cutoff:3.500A) Processing helix chain 'M6' and resid 2 through 17 Processing helix chain 'M7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSM7 9 " --> pdb=" O ALAM7 5 " (cutoff:3.500A) Processing helix chain 'M8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSM8 17 " --> pdb=" O ASPM8 13 " (cutoff:3.500A) Processing helix chain 'M9' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEM9 8 " --> pdb=" O VALM9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSM9 9 " --> pdb=" O ALAM9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPM9 13 " --> pdb=" O LYSM9 9 " (cutoff:3.500A) Processing helix chain 'NA' and resid 2 through 17 Processing helix chain 'NB' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSNB 9 " --> pdb=" O ALANB 5 " (cutoff:3.500A) Processing helix chain 'NC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSNC 17 " --> pdb=" O ASPNC 13 " (cutoff:3.500A) Processing helix chain 'ND' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEND 8 " --> pdb=" O VALND 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSND 9 " --> pdb=" O ALAND 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPND 13 " --> pdb=" O LYSND 9 " (cutoff:3.500A) Processing helix chain 'NE' and resid 2 through 17 Processing helix chain 'NF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSNF 9 " --> pdb=" O ALANF 5 " (cutoff:3.500A) Processing helix chain 'NG' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSNG 17 " --> pdb=" O ASPNG 13 " (cutoff:3.500A) Processing helix chain 'NH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHENH 8 " --> pdb=" O VALNH 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSNH 9 " --> pdb=" O ALANH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPNH 13 " --> pdb=" O LYSNH 9 " (cutoff:3.500A) Processing helix chain 'NI' and resid 2 through 17 Processing helix chain 'NJ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSNJ 9 " --> pdb=" O ALANJ 5 " (cutoff:3.500A) Processing helix chain 'NK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSNK 17 " --> pdb=" O ASPNK 13 " (cutoff:3.500A) Processing helix chain 'NL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHENL 8 " --> pdb=" O VALNL 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSNL 9 " --> pdb=" O ALANL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPNL 13 " --> pdb=" O LYSNL 9 " (cutoff:3.500A) Processing helix chain 'NM' and resid 2 through 17 Processing helix chain 'NN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSNN 9 " --> pdb=" O ALANN 5 " (cutoff:3.500A) Processing helix chain 'NO' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSNO 17 " --> pdb=" O ASPNO 13 " (cutoff:3.500A) Processing helix chain 'NP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHENP 8 " --> pdb=" O VALNP 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSNP 9 " --> pdb=" O ALANP 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPNP 13 " --> pdb=" O LYSNP 9 " (cutoff:3.500A) Processing helix chain 'NQ' and resid 2 through 17 Processing helix chain 'NR' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSNR 9 " --> pdb=" O ALANR 5 " (cutoff:3.500A) Processing helix chain 'NS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSNS 17 " --> pdb=" O ASPNS 13 " (cutoff:3.500A) Processing helix chain 'NT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHENT 8 " --> pdb=" O VALNT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSNT 9 " --> pdb=" O ALANT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPNT 13 " --> pdb=" O LYSNT 9 " (cutoff:3.500A) Processing helix chain 'NU' and resid 2 through 17 Processing helix chain 'NV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSNV 9 " --> pdb=" O ALANV 5 " (cutoff:3.500A) Processing helix chain 'NW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSNW 17 " --> pdb=" O ASPNW 13 " (cutoff:3.500A) Processing helix chain 'NX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHENX 8 " --> pdb=" O VALNX 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSNX 9 " --> pdb=" O ALANX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPNX 13 " --> pdb=" O LYSNX 9 " (cutoff:3.500A) Processing helix chain 'NY' and resid 2 through 17 Processing helix chain 'NZ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSNZ 9 " --> pdb=" O ALANZ 5 " (cutoff:3.500A) Processing helix chain 'N0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSN0 17 " --> pdb=" O ASPN0 13 " (cutoff:3.500A) Processing helix chain 'N1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEN1 8 " --> pdb=" O VALN1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSN1 9 " --> pdb=" O ALAN1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPN1 13 " --> pdb=" O LYSN1 9 " (cutoff:3.500A) Processing helix chain 'N2' and resid 2 through 17 Processing helix chain 'N3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSN3 9 " --> pdb=" O ALAN3 5 " (cutoff:3.500A) Processing helix chain 'N4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSN4 17 " --> pdb=" O ASPN4 13 " (cutoff:3.500A) Processing helix chain 'N5' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEN5 8 " --> pdb=" O VALN5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSN5 9 " --> pdb=" O ALAN5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPN5 13 " --> pdb=" O LYSN5 9 " (cutoff:3.500A) Processing helix chain 'N6' and resid 2 through 17 Processing helix chain 'N7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSN7 9 " --> pdb=" O ALAN7 5 " (cutoff:3.500A) Processing helix chain 'N8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSN8 17 " --> pdb=" O ASPN8 13 " (cutoff:3.500A) Processing helix chain 'N9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEN9 8 " --> pdb=" O VALN9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSN9 9 " --> pdb=" O ALAN9 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPN9 13 " --> pdb=" O LYSN9 9 " (cutoff:3.500A) Processing helix chain 'OA' and resid 2 through 17 Processing helix chain 'OB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSOB 9 " --> pdb=" O ALAOB 5 " (cutoff:3.500A) Processing helix chain 'OC' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSOC 17 " --> pdb=" O ASPOC 13 " (cutoff:3.500A) Processing helix chain 'OD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEOD 8 " --> pdb=" O VALOD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSOD 9 " --> pdb=" O ALAOD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPOD 13 " --> pdb=" O LYSOD 9 " (cutoff:3.500A) Processing helix chain 'OE' and resid 2 through 17 Processing helix chain 'OF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSOF 9 " --> pdb=" O ALAOF 5 " (cutoff:3.500A) Processing helix chain 'OG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSOG 17 " --> pdb=" O ASPOG 13 " (cutoff:3.500A) Processing helix chain 'OH' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEOH 8 " --> pdb=" O VALOH 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSOH 9 " --> pdb=" O ALAOH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPOH 13 " --> pdb=" O LYSOH 9 " (cutoff:3.500A) Processing helix chain 'OI' and resid 2 through 17 Processing helix chain 'OJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSOJ 9 " --> pdb=" O ALAOJ 5 " (cutoff:3.500A) Processing helix chain 'OK' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSOK 17 " --> pdb=" O ASPOK 13 " (cutoff:3.500A) Processing helix chain 'OL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEOL 8 " --> pdb=" O VALOL 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSOL 9 " --> pdb=" O ALAOL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPOL 13 " --> pdb=" O LYSOL 9 " (cutoff:3.500A) Processing helix chain 'OM' and resid 2 through 17 Processing helix chain 'ON' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSON 9 " --> pdb=" O ALAON 5 " (cutoff:3.500A) Processing helix chain 'OO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSOO 17 " --> pdb=" O ASPOO 13 " (cutoff:3.500A) Processing helix chain 'OP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEOP 8 " --> pdb=" O VALOP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSOP 9 " --> pdb=" O ALAOP 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPOP 13 " --> pdb=" O LYSOP 9 " (cutoff:3.500A) Processing helix chain 'OQ' and resid 2 through 17 Processing helix chain 'OR' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSOR 9 " --> pdb=" O ALAOR 5 " (cutoff:3.500A) Processing helix chain 'OS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSOS 17 " --> pdb=" O ASPOS 13 " (cutoff:3.500A) Processing helix chain 'OT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEOT 8 " --> pdb=" O VALOT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSOT 9 " --> pdb=" O ALAOT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPOT 13 " --> pdb=" O LYSOT 9 " (cutoff:3.500A) Processing helix chain 'OU' and resid 2 through 17 Processing helix chain 'OV' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSOV 9 " --> pdb=" O ALAOV 5 " (cutoff:3.500A) Processing helix chain 'OW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSOW 17 " --> pdb=" O ASPOW 13 " (cutoff:3.500A) Processing helix chain 'OX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEOX 8 " --> pdb=" O VALOX 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSOX 9 " --> pdb=" O ALAOX 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPOX 13 " --> pdb=" O LYSOX 9 " (cutoff:3.500A) Processing helix chain 'OY' and resid 2 through 17 Processing helix chain 'OZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSOZ 9 " --> pdb=" O ALAOZ 5 " (cutoff:3.500A) Processing helix chain 'O0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSO0 17 " --> pdb=" O ASPO0 13 " (cutoff:3.500A) Processing helix chain 'O1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEO1 8 " --> pdb=" O VALO1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSO1 9 " --> pdb=" O ALAO1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPO1 13 " --> pdb=" O LYSO1 9 " (cutoff:3.500A) Processing helix chain 'O2' and resid 2 through 17 Processing helix chain 'O3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSO3 9 " --> pdb=" O ALAO3 5 " (cutoff:3.500A) Processing helix chain 'O4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSO4 17 " --> pdb=" O ASPO4 13 " (cutoff:3.500A) Processing helix chain 'O5' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEO5 8 " --> pdb=" O VALO5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSO5 9 " --> pdb=" O ALAO5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPO5 13 " --> pdb=" O LYSO5 9 " (cutoff:3.500A) Processing helix chain 'O6' and resid 2 through 17 Processing helix chain 'O7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSO7 9 " --> pdb=" O ALAO7 5 " (cutoff:3.500A) Processing helix chain 'O8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSO8 17 " --> pdb=" O ASPO8 13 " (cutoff:3.500A) Processing helix chain 'O9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEO9 8 " --> pdb=" O VALO9 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSO9 9 " --> pdb=" O ALAO9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPO9 13 " --> pdb=" O LYSO9 9 " (cutoff:3.500A) Processing helix chain 'PA' and resid 2 through 17 Processing helix chain 'PB' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSPB 9 " --> pdb=" O ALAPB 5 " (cutoff:3.500A) Processing helix chain 'PC' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSPC 17 " --> pdb=" O ASPPC 13 " (cutoff:3.500A) Processing helix chain 'PD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEPD 8 " --> pdb=" O VALPD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSPD 9 " --> pdb=" O ALAPD 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPPD 13 " --> pdb=" O LYSPD 9 " (cutoff:3.500A) Processing helix chain 'PE' and resid 2 through 17 Processing helix chain 'PF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSPF 9 " --> pdb=" O ALAPF 5 " (cutoff:3.500A) Processing helix chain 'PG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSPG 17 " --> pdb=" O ASPPG 13 " (cutoff:3.500A) Processing helix chain 'PH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEPH 8 " --> pdb=" O VALPH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSPH 9 " --> pdb=" O ALAPH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPPH 13 " --> pdb=" O LYSPH 9 " (cutoff:3.500A) Processing helix chain 'PI' and resid 2 through 17 Processing helix chain 'PJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSPJ 9 " --> pdb=" O ALAPJ 5 " (cutoff:3.500A) Processing helix chain 'PK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSPK 17 " --> pdb=" O ASPPK 13 " (cutoff:3.500A) Processing helix chain 'PL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEPL 8 " --> pdb=" O VALPL 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSPL 9 " --> pdb=" O ALAPL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPPL 13 " --> pdb=" O LYSPL 9 " (cutoff:3.500A) Processing helix chain 'PM' and resid 2 through 17 Processing helix chain 'PN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSPN 9 " --> pdb=" O ALAPN 5 " (cutoff:3.500A) Processing helix chain 'PO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSPO 17 " --> pdb=" O ASPPO 13 " (cutoff:3.500A) Processing helix chain 'PP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEPP 8 " --> pdb=" O VALPP 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSPP 9 " --> pdb=" O ALAPP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPPP 13 " --> pdb=" O LYSPP 9 " (cutoff:3.500A) Processing helix chain 'PQ' and resid 2 through 17 Processing helix chain 'PR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSPR 9 " --> pdb=" O ALAPR 5 " (cutoff:3.500A) Processing helix chain 'PS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSPS 17 " --> pdb=" O ASPPS 13 " (cutoff:3.500A) Processing helix chain 'PT' and resid 2 through 19 removed outlier: 3.505A pdb=" N PHEPT 8 " --> pdb=" O VALPT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSPT 9 " --> pdb=" O ALAPT 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPPT 13 " --> pdb=" O LYSPT 9 " (cutoff:3.500A) Processing helix chain 'PU' and resid 2 through 17 Processing helix chain 'PV' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSPV 9 " --> pdb=" O ALAPV 5 " (cutoff:3.500A) Processing helix chain 'PW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSPW 17 " --> pdb=" O ASPPW 13 " (cutoff:3.500A) Processing helix chain 'PX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEPX 8 " --> pdb=" O VALPX 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSPX 9 " --> pdb=" O ALAPX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPPX 13 " --> pdb=" O LYSPX 9 " (cutoff:3.500A) Processing helix chain 'PY' and resid 2 through 17 Processing helix chain 'PZ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSPZ 9 " --> pdb=" O ALAPZ 5 " (cutoff:3.500A) Processing helix chain 'P0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSP0 17 " --> pdb=" O ASPP0 13 " (cutoff:3.500A) Processing helix chain 'P1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEP1 8 " --> pdb=" O VALP1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSP1 9 " --> pdb=" O ALAP1 5 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASPP1 13 " --> pdb=" O LYSP1 9 " (cutoff:3.500A) Processing helix chain 'P2' and resid 2 through 17 Processing helix chain 'P3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSP3 9 " --> pdb=" O ALAP3 5 " (cutoff:3.500A) Processing helix chain 'P4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSP4 17 " --> pdb=" O ASPP4 13 " (cutoff:3.500A) Processing helix chain 'P5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEP5 8 " --> pdb=" O VALP5 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSP5 9 " --> pdb=" O ALAP5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPP5 13 " --> pdb=" O LYSP5 9 " (cutoff:3.500A) Processing helix chain 'P6' and resid 2 through 17 Processing helix chain 'P7' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSP7 9 " --> pdb=" O ALAP7 5 " (cutoff:3.500A) Processing helix chain 'P8' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSP8 17 " --> pdb=" O ASPP8 13 " (cutoff:3.500A) Processing helix chain 'P9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEP9 8 " --> pdb=" O VALP9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSP9 9 " --> pdb=" O ALAP9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPP9 13 " --> pdb=" O LYSP9 9 " (cutoff:3.500A) Processing helix chain 'QA' and resid 2 through 17 Processing helix chain 'QB' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSQB 9 " --> pdb=" O ALAQB 5 " (cutoff:3.500A) Processing helix chain 'QC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSQC 17 " --> pdb=" O ASPQC 13 " (cutoff:3.500A) Processing helix chain 'QD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEQD 8 " --> pdb=" O VALQD 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSQD 9 " --> pdb=" O ALAQD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPQD 13 " --> pdb=" O LYSQD 9 " (cutoff:3.500A) Processing helix chain 'QE' and resid 2 through 17 Processing helix chain 'QF' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSQF 9 " --> pdb=" O ALAQF 5 " (cutoff:3.500A) Processing helix chain 'QG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSQG 17 " --> pdb=" O ASPQG 13 " (cutoff:3.500A) Processing helix chain 'QH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEQH 8 " --> pdb=" O VALQH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSQH 9 " --> pdb=" O ALAQH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPQH 13 " --> pdb=" O LYSQH 9 " (cutoff:3.500A) Processing helix chain 'QI' and resid 2 through 17 Processing helix chain 'QJ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSQJ 9 " --> pdb=" O ALAQJ 5 " (cutoff:3.500A) Processing helix chain 'QK' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSQK 17 " --> pdb=" O ASPQK 13 " (cutoff:3.500A) Processing helix chain 'QL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEQL 8 " --> pdb=" O VALQL 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSQL 9 " --> pdb=" O ALAQL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPQL 13 " --> pdb=" O LYSQL 9 " (cutoff:3.500A) Processing helix chain 'QM' and resid 2 through 17 Processing helix chain 'QN' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSQN 9 " --> pdb=" O ALAQN 5 " (cutoff:3.500A) Processing helix chain 'QO' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSQO 17 " --> pdb=" O ASPQO 13 " (cutoff:3.500A) Processing helix chain 'QP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEQP 8 " --> pdb=" O VALQP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSQP 9 " --> pdb=" O ALAQP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPQP 13 " --> pdb=" O LYSQP 9 " (cutoff:3.500A) Processing helix chain 'QQ' and resid 2 through 17 Processing helix chain 'QR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSQR 9 " --> pdb=" O ALAQR 5 " (cutoff:3.500A) Processing helix chain 'QS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSQS 17 " --> pdb=" O ASPQS 13 " (cutoff:3.500A) Processing helix chain 'QT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEQT 8 " --> pdb=" O VALQT 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSQT 9 " --> pdb=" O ALAQT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPQT 13 " --> pdb=" O LYSQT 9 " (cutoff:3.500A) Processing helix chain 'QU' and resid 2 through 17 Processing helix chain 'QV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSQV 9 " --> pdb=" O ALAQV 5 " (cutoff:3.500A) Processing helix chain 'QW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSQW 17 " --> pdb=" O ASPQW 13 " (cutoff:3.500A) Processing helix chain 'QX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEQX 8 " --> pdb=" O VALQX 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSQX 9 " --> pdb=" O ALAQX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPQX 13 " --> pdb=" O LYSQX 9 " (cutoff:3.500A) Processing helix chain 'QY' and resid 2 through 17 Processing helix chain 'QZ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSQZ 9 " --> pdb=" O ALAQZ 5 " (cutoff:3.500A) Processing helix chain 'Q0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSQ0 17 " --> pdb=" O ASPQ0 13 " (cutoff:3.500A) Processing helix chain 'Q1' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHEQ1 8 " --> pdb=" O VALQ1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSQ1 9 " --> pdb=" O ALAQ1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPQ1 13 " --> pdb=" O LYSQ1 9 " (cutoff:3.500A) Processing helix chain 'Q2' and resid 2 through 17 Processing helix chain 'Q3' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSQ3 9 " --> pdb=" O ALAQ3 5 " (cutoff:3.500A) Processing helix chain 'Q4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSQ4 17 " --> pdb=" O ASPQ4 13 " (cutoff:3.500A) Processing helix chain 'Q5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEQ5 8 " --> pdb=" O VALQ5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSQ5 9 " --> pdb=" O ALAQ5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPQ5 13 " --> pdb=" O LYSQ5 9 " (cutoff:3.500A) Processing helix chain 'Q6' and resid 2 through 17 Processing helix chain 'Q7' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSQ7 9 " --> pdb=" O ALAQ7 5 " (cutoff:3.500A) Processing helix chain 'Q8' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSQ8 17 " --> pdb=" O ASPQ8 13 " (cutoff:3.500A) Processing helix chain 'Q9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEQ9 8 " --> pdb=" O VALQ9 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSQ9 9 " --> pdb=" O ALAQ9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPQ9 13 " --> pdb=" O LYSQ9 9 " (cutoff:3.500A) Processing helix chain 'RA' and resid 2 through 17 Processing helix chain 'RB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSRB 9 " --> pdb=" O ALARB 5 " (cutoff:3.500A) Processing helix chain 'RC' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSRC 17 " --> pdb=" O ASPRC 13 " (cutoff:3.500A) Processing helix chain 'RD' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHERD 8 " --> pdb=" O VALRD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSRD 9 " --> pdb=" O ALARD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPRD 13 " --> pdb=" O LYSRD 9 " (cutoff:3.500A) Processing helix chain 'RE' and resid 2 through 17 Processing helix chain 'RF' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSRF 9 " --> pdb=" O ALARF 5 " (cutoff:3.500A) Processing helix chain 'RG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSRG 17 " --> pdb=" O ASPRG 13 " (cutoff:3.500A) Processing helix chain 'RH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHERH 8 " --> pdb=" O VALRH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSRH 9 " --> pdb=" O ALARH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPRH 13 " --> pdb=" O LYSRH 9 " (cutoff:3.500A) Processing helix chain 'RI' and resid 2 through 17 Processing helix chain 'RJ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSRJ 9 " --> pdb=" O ALARJ 5 " (cutoff:3.500A) Processing helix chain 'RK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSRK 17 " --> pdb=" O ASPRK 13 " (cutoff:3.500A) Processing helix chain 'RL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHERL 8 " --> pdb=" O VALRL 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSRL 9 " --> pdb=" O ALARL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPRL 13 " --> pdb=" O LYSRL 9 " (cutoff:3.500A) Processing helix chain 'RM' and resid 2 through 17 Processing helix chain 'RN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSRN 9 " --> pdb=" O ALARN 5 " (cutoff:3.500A) Processing helix chain 'RO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSRO 17 " --> pdb=" O ASPRO 13 " (cutoff:3.500A) Processing helix chain 'RP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHERP 8 " --> pdb=" O VALRP 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSRP 9 " --> pdb=" O ALARP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPRP 13 " --> pdb=" O LYSRP 9 " (cutoff:3.500A) Processing helix chain 'RQ' and resid 2 through 17 Processing helix chain 'RR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSRR 9 " --> pdb=" O ALARR 5 " (cutoff:3.500A) Processing helix chain 'RS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSRS 17 " --> pdb=" O ASPRS 13 " (cutoff:3.500A) Processing helix chain 'RT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHERT 8 " --> pdb=" O VALRT 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSRT 9 " --> pdb=" O ALART 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPRT 13 " --> pdb=" O LYSRT 9 " (cutoff:3.500A) Processing helix chain 'RU' and resid 2 through 17 Processing helix chain 'RV' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSRV 9 " --> pdb=" O ALARV 5 " (cutoff:3.500A) Processing helix chain 'RW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSRW 17 " --> pdb=" O ASPRW 13 " (cutoff:3.500A) Processing helix chain 'RX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHERX 8 " --> pdb=" O VALRX 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSRX 9 " --> pdb=" O ALARX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPRX 13 " --> pdb=" O LYSRX 9 " (cutoff:3.500A) Processing helix chain 'RY' and resid 2 through 17 Processing helix chain 'RZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSRZ 9 " --> pdb=" O ALARZ 5 " (cutoff:3.500A) Processing helix chain 'R0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSR0 17 " --> pdb=" O ASPR0 13 " (cutoff:3.500A) Processing helix chain 'R1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHER1 8 " --> pdb=" O VALR1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSR1 9 " --> pdb=" O ALAR1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPR1 13 " --> pdb=" O LYSR1 9 " (cutoff:3.500A) Processing helix chain 'R2' and resid 2 through 17 Processing helix chain 'R3' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSR3 9 " --> pdb=" O ALAR3 5 " (cutoff:3.500A) Processing helix chain 'R4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSR4 17 " --> pdb=" O ASPR4 13 " (cutoff:3.500A) Processing helix chain 'R5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHER5 8 " --> pdb=" O VALR5 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSR5 9 " --> pdb=" O ALAR5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPR5 13 " --> pdb=" O LYSR5 9 " (cutoff:3.500A) Processing helix chain 'R6' and resid 2 through 17 Processing helix chain 'R7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSR7 9 " --> pdb=" O ALAR7 5 " (cutoff:3.500A) Processing helix chain 'R8' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSR8 17 " --> pdb=" O ASPR8 13 " (cutoff:3.500A) Processing helix chain 'R9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHER9 8 " --> pdb=" O VALR9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSR9 9 " --> pdb=" O ALAR9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPR9 13 " --> pdb=" O LYSR9 9 " (cutoff:3.500A) Processing helix chain 'SA' and resid 2 through 17 Processing helix chain 'SB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSSB 9 " --> pdb=" O ALASB 5 " (cutoff:3.500A) Processing helix chain 'SC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSSC 17 " --> pdb=" O ASPSC 13 " (cutoff:3.500A) Processing helix chain 'SD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHESD 8 " --> pdb=" O VALSD 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSSD 9 " --> pdb=" O ALASD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPSD 13 " --> pdb=" O LYSSD 9 " (cutoff:3.500A) Processing helix chain 'SE' and resid 2 through 17 Processing helix chain 'SF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSSF 9 " --> pdb=" O ALASF 5 " (cutoff:3.500A) Processing helix chain 'SG' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSSG 17 " --> pdb=" O ASPSG 13 " (cutoff:3.500A) Processing helix chain 'SH' and resid 2 through 19 removed outlier: 3.505A pdb=" N PHESH 8 " --> pdb=" O VALSH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSSH 9 " --> pdb=" O ALASH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPSH 13 " --> pdb=" O LYSSH 9 " (cutoff:3.500A) Processing helix chain 'SI' and resid 2 through 17 Processing helix chain 'SJ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSSJ 9 " --> pdb=" O ALASJ 5 " (cutoff:3.500A) Processing helix chain 'SK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSSK 17 " --> pdb=" O ASPSK 13 " (cutoff:3.500A) Processing helix chain 'SL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHESL 8 " --> pdb=" O VALSL 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSSL 9 " --> pdb=" O ALASL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPSL 13 " --> pdb=" O LYSSL 9 " (cutoff:3.500A) Processing helix chain 'SM' and resid 2 through 17 Processing helix chain 'SN' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSSN 9 " --> pdb=" O ALASN 5 " (cutoff:3.500A) Processing helix chain 'SO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSSO 17 " --> pdb=" O ASPSO 13 " (cutoff:3.500A) Processing helix chain 'SP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHESP 8 " --> pdb=" O VALSP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSSP 9 " --> pdb=" O ALASP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPSP 13 " --> pdb=" O LYSSP 9 " (cutoff:3.500A) Processing helix chain 'SQ' and resid 2 through 17 Processing helix chain 'SR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSSR 9 " --> pdb=" O ALASR 5 " (cutoff:3.500A) Processing helix chain 'SS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSSS 17 " --> pdb=" O ASPSS 13 " (cutoff:3.500A) Processing helix chain 'ST' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEST 8 " --> pdb=" O VALST 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSST 9 " --> pdb=" O ALAST 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPST 13 " --> pdb=" O LYSST 9 " (cutoff:3.500A) Processing helix chain 'SU' and resid 2 through 17 Processing helix chain 'SV' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSSV 9 " --> pdb=" O ALASV 5 " (cutoff:3.500A) Processing helix chain 'SW' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSSW 17 " --> pdb=" O ASPSW 13 " (cutoff:3.500A) Processing helix chain 'SX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHESX 8 " --> pdb=" O VALSX 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSSX 9 " --> pdb=" O ALASX 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPSX 13 " --> pdb=" O LYSSX 9 " (cutoff:3.500A) Processing helix chain 'SY' and resid 2 through 17 Processing helix chain 'SZ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSSZ 9 " --> pdb=" O ALASZ 5 " (cutoff:3.500A) Processing helix chain 'S0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSS0 17 " --> pdb=" O ASPS0 13 " (cutoff:3.500A) Processing helix chain 'S1' and resid 2 through 19 removed outlier: 3.507A pdb=" N PHES1 8 " --> pdb=" O VALS1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSS1 9 " --> pdb=" O ALAS1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPS1 13 " --> pdb=" O LYSS1 9 " (cutoff:3.500A) Processing helix chain 'S2' and resid 2 through 17 Processing helix chain 'S3' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSS3 9 " --> pdb=" O ALAS3 5 " (cutoff:3.500A) Processing helix chain 'S4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSS4 17 " --> pdb=" O ASPS4 13 " (cutoff:3.500A) Processing helix chain 'S5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHES5 8 " --> pdb=" O VALS5 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSS5 9 " --> pdb=" O ALAS5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPS5 13 " --> pdb=" O LYSS5 9 " (cutoff:3.500A) Processing helix chain 'S6' and resid 2 through 17 Processing helix chain 'S7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSS7 9 " --> pdb=" O ALAS7 5 " (cutoff:3.500A) Processing helix chain 'S8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSS8 17 " --> pdb=" O ASPS8 13 " (cutoff:3.500A) Processing helix chain 'S9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHES9 8 " --> pdb=" O VALS9 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSS9 9 " --> pdb=" O ALAS9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPS9 13 " --> pdb=" O LYSS9 9 " (cutoff:3.500A) Processing helix chain 'TA' and resid 2 through 17 Processing helix chain 'TB' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSTB 9 " --> pdb=" O ALATB 5 " (cutoff:3.500A) Processing helix chain 'TC' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSTC 17 " --> pdb=" O ASPTC 13 " (cutoff:3.500A) Processing helix chain 'TD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHETD 8 " --> pdb=" O VALTD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSTD 9 " --> pdb=" O ALATD 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPTD 13 " --> pdb=" O LYSTD 9 " (cutoff:3.500A) Processing helix chain 'TE' and resid 2 through 17 Processing helix chain 'TF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSTF 9 " --> pdb=" O ALATF 5 " (cutoff:3.500A) Processing helix chain 'TG' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSTG 17 " --> pdb=" O ASPTG 13 " (cutoff:3.500A) Processing helix chain 'TH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHETH 8 " --> pdb=" O VALTH 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSTH 9 " --> pdb=" O ALATH 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPTH 13 " --> pdb=" O LYSTH 9 " (cutoff:3.500A) Processing helix chain 'TI' and resid 2 through 17 Processing helix chain 'TJ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSTJ 9 " --> pdb=" O ALATJ 5 " (cutoff:3.500A) Processing helix chain 'TK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSTK 17 " --> pdb=" O ASPTK 13 " (cutoff:3.500A) Processing helix chain 'TL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHETL 8 " --> pdb=" O VALTL 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSTL 9 " --> pdb=" O ALATL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPTL 13 " --> pdb=" O LYSTL 9 " (cutoff:3.500A) Processing helix chain 'TM' and resid 2 through 17 Processing helix chain 'TN' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSTN 9 " --> pdb=" O ALATN 5 " (cutoff:3.500A) Processing helix chain 'TO' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSTO 17 " --> pdb=" O ASPTO 13 " (cutoff:3.500A) Processing helix chain 'TP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHETP 8 " --> pdb=" O VALTP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSTP 9 " --> pdb=" O ALATP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPTP 13 " --> pdb=" O LYSTP 9 " (cutoff:3.500A) Processing helix chain 'TQ' and resid 2 through 17 Processing helix chain 'TR' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSTR 9 " --> pdb=" O ALATR 5 " (cutoff:3.500A) Processing helix chain 'TS' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSTS 17 " --> pdb=" O ASPTS 13 " (cutoff:3.500A) Processing helix chain 'TT' and resid 2 through 19 removed outlier: 3.505A pdb=" N PHETT 8 " --> pdb=" O VALTT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSTT 9 " --> pdb=" O ALATT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPTT 13 " --> pdb=" O LYSTT 9 " (cutoff:3.500A) Processing helix chain 'TU' and resid 2 through 17 Processing helix chain 'TV' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSTV 9 " --> pdb=" O ALATV 5 " (cutoff:3.500A) Processing helix chain 'TW' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSTW 17 " --> pdb=" O ASPTW 13 " (cutoff:3.500A) Processing helix chain 'TX' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHETX 8 " --> pdb=" O VALTX 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSTX 9 " --> pdb=" O ALATX 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPTX 13 " --> pdb=" O LYSTX 9 " (cutoff:3.500A) Processing helix chain 'TY' and resid 2 through 17 Processing helix chain 'TZ' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSTZ 9 " --> pdb=" O ALATZ 5 " (cutoff:3.500A) Processing helix chain 'T0' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYST0 17 " --> pdb=" O ASPT0 13 " (cutoff:3.500A) Processing helix chain 'T1' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHET1 8 " --> pdb=" O VALT1 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYST1 9 " --> pdb=" O ALAT1 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPT1 13 " --> pdb=" O LYST1 9 " (cutoff:3.500A) Processing helix chain 'T2' and resid 2 through 17 Processing helix chain 'T3' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYST3 9 " --> pdb=" O ALAT3 5 " (cutoff:3.500A) Processing helix chain 'T4' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYST4 17 " --> pdb=" O ASPT4 13 " (cutoff:3.500A) Processing helix chain 'T5' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHET5 8 " --> pdb=" O VALT5 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYST5 9 " --> pdb=" O ALAT5 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPT5 13 " --> pdb=" O LYST5 9 " (cutoff:3.500A) Processing helix chain 'T6' and resid 2 through 17 Processing helix chain 'T7' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYST7 9 " --> pdb=" O ALAT7 5 " (cutoff:3.500A) Processing helix chain 'T8' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYST8 17 " --> pdb=" O ASPT8 13 " (cutoff:3.500A) Processing helix chain 'T9' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHET9 8 " --> pdb=" O VALT9 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYST9 9 " --> pdb=" O ALAT9 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPT9 13 " --> pdb=" O LYST9 9 " (cutoff:3.500A) Processing helix chain 'UA' and resid 2 through 17 Processing helix chain 'UB' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSUB 9 " --> pdb=" O ALAUB 5 " (cutoff:3.500A) Processing helix chain 'UC' and resid 1 through 17 removed outlier: 4.014A pdb=" N LYSUC 17 " --> pdb=" O ASPUC 13 " (cutoff:3.500A) Processing helix chain 'UD' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEUD 8 " --> pdb=" O VALUD 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSUD 9 " --> pdb=" O ALAUD 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPUD 13 " --> pdb=" O LYSUD 9 " (cutoff:3.500A) Processing helix chain 'UE' and resid 2 through 17 Processing helix chain 'UF' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSUF 9 " --> pdb=" O ALAUF 5 " (cutoff:3.500A) Processing helix chain 'UG' and resid 1 through 17 removed outlier: 4.016A pdb=" N LYSUG 17 " --> pdb=" O ASPUG 13 " (cutoff:3.500A) Processing helix chain 'UH' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEUH 8 " --> pdb=" O VALUH 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSUH 9 " --> pdb=" O ALAUH 5 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASPUH 13 " --> pdb=" O LYSUH 9 " (cutoff:3.500A) Processing helix chain 'UI' and resid 2 through 17 Processing helix chain 'UJ' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSUJ 9 " --> pdb=" O ALAUJ 5 " (cutoff:3.500A) Processing helix chain 'UK' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSUK 17 " --> pdb=" O ASPUK 13 " (cutoff:3.500A) Processing helix chain 'UL' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEUL 8 " --> pdb=" O VALUL 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSUL 9 " --> pdb=" O ALAUL 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPUL 13 " --> pdb=" O LYSUL 9 " (cutoff:3.500A) Processing helix chain 'UM' and resid 2 through 17 Processing helix chain 'UN' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSUN 9 " --> pdb=" O ALAUN 5 " (cutoff:3.500A) Processing helix chain 'UO' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSUO 17 " --> pdb=" O ASPUO 13 " (cutoff:3.500A) Processing helix chain 'UP' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEUP 8 " --> pdb=" O VALUP 4 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N LYSUP 9 " --> pdb=" O ALAUP 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPUP 13 " --> pdb=" O LYSUP 9 " (cutoff:3.500A) Processing helix chain 'UQ' and resid 2 through 17 Processing helix chain 'UR' and resid 2 through 20 removed outlier: 3.674A pdb=" N LYSUR 9 " --> pdb=" O ALAUR 5 " (cutoff:3.500A) Processing helix chain 'US' and resid 1 through 17 removed outlier: 4.015A pdb=" N LYSUS 17 " --> pdb=" O ASPUS 13 " (cutoff:3.500A) Processing helix chain 'UT' and resid 2 through 19 removed outlier: 3.506A pdb=" N PHEUT 8 " --> pdb=" O VALUT 4 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N LYSUT 9 " --> pdb=" O ALAUT 5 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASPUT 13 " --> pdb=" O LYSUT 9 " (cutoff:3.500A) Processing helix chain 'UU' and resid 2 through 17 Processing helix chain 'UV' and resid 2 through 20 removed outlier: 3.675A pdb=" N LYSUV 9 " --> pdb=" O ALAUV 5 " (cutoff:3.500A) 9849 hydrogen bonds defined for protein. 29547 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 62.45 Time building geometry restraints manager: 45.24 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.23 - 1.34: 38592 1.34 - 1.46: 36982 1.46 - 1.57: 69146 1.57 - 1.69: 0 1.69 - 1.80: 1608 Bond restraints: 146328 Sorted by residual: bond pdb=" C LEUIR 19 " pdb=" N GLYIR 20 " ideal model delta sigma weight residual 1.334 1.316 0.018 1.12e-02 7.97e+03 2.60e+00 bond pdb=" C LEUAV 19 " pdb=" N GLYAV 20 " ideal model delta sigma weight residual 1.334 1.316 0.018 1.12e-02 7.97e+03 2.58e+00 bond pdb=" C LEUCJ 19 " pdb=" N GLYCJ 20 " ideal model delta sigma weight residual 1.334 1.316 0.018 1.12e-02 7.97e+03 2.57e+00 bond pdb=" C LEUN7 19 " pdb=" N GLYN7 20 " ideal model delta sigma weight residual 1.334 1.316 0.018 1.12e-02 7.97e+03 2.55e+00 bond pdb=" C LEUHZ 19 " pdb=" N GLYHZ 20 " ideal model delta sigma weight residual 1.334 1.316 0.018 1.12e-02 7.97e+03 2.54e+00 ... (remaining 146323 not shown) Histogram of bond angle deviations from ideal: 99.33 - 104.52: 804 104.52 - 109.72: 8484 109.72 - 114.91: 74445 114.91 - 120.11: 46350 120.11 - 125.31: 61872 Bond angle restraints: 191955 Sorted by residual: angle pdb=" CA LEUS8 19 " pdb=" CB LEUS8 19 " pdb=" CG LEUS8 19 " ideal model delta sigma weight residual 116.30 125.31 -9.01 3.50e+00 8.16e-02 6.62e+00 angle pdb=" CA LEUQW 19 " pdb=" CB LEUQW 19 " pdb=" CG LEUQW 19 " ideal model delta sigma weight residual 116.30 125.29 -8.99 3.50e+00 8.16e-02 6.60e+00 angle pdb=" CA LEUB0 19 " pdb=" CB LEUB0 19 " pdb=" CG LEUB0 19 " ideal model delta sigma weight residual 116.30 125.29 -8.99 3.50e+00 8.16e-02 6.59e+00 angle pdb=" CA LEURO 19 " pdb=" CB LEURO 19 " pdb=" CG LEURO 19 " ideal model delta sigma weight residual 116.30 125.29 -8.99 3.50e+00 8.16e-02 6.59e+00 angle pdb=" CA LEURW 19 " pdb=" CB LEURW 19 " pdb=" CG LEURW 19 " ideal model delta sigma weight residual 116.30 125.29 -8.99 3.50e+00 8.16e-02 6.59e+00 ... (remaining 191950 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 9.26: 63250 9.26 - 18.52: 10517 18.52 - 27.78: 5427 27.78 - 37.03: 3417 37.03 - 46.29: 1206 Dihedral angle restraints: 83817 sinusoidal: 36582 harmonic: 47235 Sorted by residual: dihedral pdb=" CA LYSJX 12 " pdb=" CB LYSJX 12 " pdb=" CG LYSJX 12 " pdb=" CD LYSJX 12 " ideal model delta sinusoidal sigma weight residual -60.00 -106.29 46.29 3 1.50e+01 4.44e-03 8.31e+00 dihedral pdb=" CA LYSM9 12 " pdb=" CB LYSM9 12 " pdb=" CG LYSM9 12 " pdb=" CD LYSM9 12 " ideal model delta sinusoidal sigma weight residual -60.00 -106.29 46.29 3 1.50e+01 4.44e-03 8.31e+00 dihedral pdb=" CA LYSLT 12 " pdb=" CB LYSLT 12 " pdb=" CG LYSLT 12 " pdb=" CD LYSLT 12 " ideal model delta sinusoidal sigma weight residual -60.00 -106.29 46.29 3 1.50e+01 4.44e-03 8.31e+00 ... (remaining 83814 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.024: 11248 0.024 - 0.048: 6492 0.048 - 0.073: 1553 0.073 - 0.097: 3 0.097 - 0.121: 201 Chirality restraints: 19497 Sorted by residual: chirality pdb=" CG LEUDC 19 " pdb=" CB LEUDC 19 " pdb=" CD1 LEUDC 19 " pdb=" CD2 LEUDC 19 " both_signs ideal model delta sigma weight residual False -2.59 -2.71 0.12 2.00e-01 2.50e+01 3.67e-01 chirality pdb=" CG LEUPK 19 " pdb=" CB LEUPK 19 " pdb=" CD1 LEUPK 19 " pdb=" CD2 LEUPK 19 " both_signs ideal model delta sigma weight residual False -2.59 -2.71 0.12 2.00e-01 2.50e+01 3.64e-01 chirality pdb=" CG LEUA0 19 " pdb=" CB LEUA0 19 " pdb=" CD1 LEUA0 19 " pdb=" CD2 LEUA0 19 " both_signs ideal model delta sigma weight residual False -2.59 -2.71 0.12 2.00e-01 2.50e+01 3.61e-01 ... (remaining 19494 not shown) Planarity restraints: 22914 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB PHED0 10 " 0.005 2.00e-02 2.50e+03 4.36e-03 3.33e-01 pdb=" CG PHED0 10 " -0.010 2.00e-02 2.50e+03 pdb=" CD1 PHED0 10 " 0.001 2.00e-02 2.50e+03 pdb=" CD2 PHED0 10 " 0.000 2.00e-02 2.50e+03 pdb=" CE1 PHED0 10 " 0.001 2.00e-02 2.50e+03 pdb=" CE2 PHED0 10 " 0.002 2.00e-02 2.50e+03 pdb=" CZ PHED0 10 " 0.001 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB PHEQ4 10 " -0.006 2.00e-02 2.50e+03 4.35e-03 3.32e-01 pdb=" CG PHEQ4 10 " 0.010 2.00e-02 2.50e+03 pdb=" CD1 PHEQ4 10 " -0.001 2.00e-02 2.50e+03 pdb=" CD2 PHEQ4 10 " 0.000 2.00e-02 2.50e+03 pdb=" CE1 PHEQ4 10 " -0.000 2.00e-02 2.50e+03 pdb=" CE2 PHEQ4 10 " -0.002 2.00e-02 2.50e+03 pdb=" CZ PHEQ4 10 " -0.001 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB PHEOG 10 " -0.005 2.00e-02 2.50e+03 4.33e-03 3.28e-01 pdb=" CG PHEOG 10 " 0.010 2.00e-02 2.50e+03 pdb=" CD1 PHEOG 10 " -0.001 2.00e-02 2.50e+03 pdb=" CD2 PHEOG 10 " -0.000 2.00e-02 2.50e+03 pdb=" CE1 PHEOG 10 " -0.001 2.00e-02 2.50e+03 pdb=" CE2 PHEOG 10 " -0.002 2.00e-02 2.50e+03 pdb=" CZ PHEOG 10 " -0.001 2.00e-02 2.50e+03 ... (remaining 22911 not shown) Histogram of nonbonded interaction distances: 2.50 - 2.98: 85944 2.98 - 3.46: 147289 3.46 - 3.94: 205214 3.94 - 4.42: 255167 4.42 - 4.90: 370838 Nonbonded interactions: 1064452 Sorted by model distance: nonbonded pdb=" N GLUKJ 2 " pdb=" OE1 GLUKJ 2 " model vdw 2.505 2.520 nonbonded pdb=" N GLUI3 2 " pdb=" OE1 GLUI3 2 " model vdw 2.505 2.520 nonbonded pdb=" N GLUR7 2 " pdb=" OE1 GLUR7 2 " model vdw 2.505 2.520 nonbonded pdb=" N GLUQB 2 " pdb=" OE1 GLUQB 2 " model vdw 2.505 2.520 nonbonded pdb=" N GLUBN 2 " pdb=" OE1 GLUBN 2 " model vdw 2.505 2.520 ... (remaining 1064447 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = (chain '3' and resid 1 through 21) selection = chain '4' selection = chain '5' selection = chain '6' selection = (chain '7' and resid 1 through 21) selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'A0' selection = (chain 'A1' and resid 1 through 21) selection = chain 'A2' selection = chain 'A3' selection = chain 'A4' selection = (chain 'A5' and resid 1 through 21) selection = chain 'A6' selection = chain 'A7' selection = chain 'A8' selection = (chain 'A9' and resid 1 through 21) selection = chain 'AA' selection = chain 'AB' selection = chain 'AC' selection = (chain 'AD' and resid 1 through 21) selection = chain 'AE' selection = chain 'AF' selection = chain 'AG' selection = (chain 'AH' and resid 1 through 21) selection = chain 'AI' selection = chain 'AJ' selection = chain 'AK' selection = (chain 'AL' and resid 1 through 21) selection = chain 'AM' selection = chain 'AN' selection = chain 'AO' selection = (chain 'AP' and resid 1 through 21) selection = chain 'AQ' selection = chain 'AR' selection = chain 'AS' selection = (chain 'AT' and resid 1 through 21) selection = chain 'AU' selection = chain 'AV' selection = chain 'AW' selection = (chain 'AX' and resid 1 through 21) selection = chain 'AY' selection = chain 'AZ' selection = (chain 'B' and resid 1 through 21) selection = chain 'B0' selection = (chain 'B1' and resid 1 through 21) selection = chain 'B2' selection = chain 'B3' selection = chain 'B4' selection = (chain 'B5' and resid 1 through 21) selection = chain 'B6' selection = chain 'B7' selection = chain 'B8' selection = (chain 'B9' and resid 1 through 21) selection = chain 'BA' selection = chain 'BB' selection = chain 'BC' selection = (chain 'BD' and resid 1 through 21) selection = chain 'BE' selection = chain 'BF' selection = chain 'BG' selection = (chain 'BH' and resid 1 through 21) selection = chain 'BI' selection = chain 'BJ' selection = chain 'BK' selection = (chain 'BL' and resid 1 through 21) selection = chain 'BM' selection = chain 'BN' selection = chain 'BO' selection = (chain 'BP' and resid 1 through 21) selection = chain 'BQ' selection = chain 'BR' selection = chain 'BS' selection = (chain 'BT' and resid 1 through 21) selection = chain 'BU' selection = chain 'BV' selection = chain 'BW' selection = (chain 'BX' and resid 1 through 21) selection = chain 'BY' selection = chain 'BZ' selection = chain 'C' selection = chain 'C0' selection = (chain 'C1' and resid 1 through 21) selection = chain 'C2' selection = chain 'C3' selection = chain 'C4' selection = (chain 'C5' and resid 1 through 21) selection = chain 'C6' selection = chain 'C7' selection = chain 'C8' selection = (chain 'C9' and resid 1 through 21) selection = chain 'CA' selection = chain 'CB' selection = chain 'CC' selection = (chain 'CD' and resid 1 through 21) selection = chain 'CE' selection = chain 'CF' selection = chain 'CG' selection = (chain 'CH' and resid 1 through 21) selection = chain 'CI' selection = chain 'CJ' selection = chain 'CK' selection = (chain 'CL' and resid 1 through 21) selection = chain 'CM' selection = chain 'CN' selection = chain 'CO' selection = (chain 'CP' and resid 1 through 21) selection = chain 'CQ' selection = chain 'CR' selection = chain 'CS' selection = (chain 'CT' and resid 1 through 21) selection = chain 'CU' selection = chain 'CV' selection = chain 'CW' selection = (chain 'CX' and resid 1 through 21) selection = chain 'CY' selection = chain 'CZ' selection = chain 'D' selection = chain 'D0' selection = (chain 'D1' and resid 1 through 21) selection = chain 'D2' selection = chain 'D3' selection = chain 'D4' selection = (chain 'D5' and resid 1 through 21) selection = chain 'D6' selection = chain 'D7' selection = chain 'D8' selection = (chain 'D9' and resid 1 through 21) selection = chain 'DA' selection = chain 'DB' selection = chain 'DC' selection = (chain 'DD' and resid 1 through 21) selection = chain 'DE' selection = chain 'DF' selection = chain 'DG' selection = (chain 'DH' and resid 1 through 21) selection = chain 'DI' selection = chain 'DJ' selection = chain 'DK' selection = (chain 'DL' and resid 1 through 21) selection = chain 'DM' selection = chain 'DN' selection = chain 'DO' selection = (chain 'DP' and resid 1 through 21) selection = chain 'DQ' selection = chain 'DR' selection = chain 'DS' selection = (chain 'DT' and resid 1 through 21) selection = chain 'DU' selection = chain 'DV' selection = chain 'DW' selection = (chain 'DX' and resid 1 through 21) selection = chain 'DY' selection = chain 'DZ' selection = chain 'E' selection = chain 'E0' selection = (chain 'E1' and resid 1 through 21) selection = chain 'E2' selection = chain 'E3' selection = chain 'E4' selection = (chain 'E5' and resid 1 through 21) selection = chain 'E6' selection = chain 'E7' selection = chain 'E8' selection = (chain 'E9' and resid 1 through 21) selection = chain 'EA' selection = chain 'EB' selection = chain 'EC' selection = (chain 'ED' and resid 1 through 21) selection = chain 'EE' selection = chain 'EF' selection = chain 'EG' selection = (chain 'EH' and resid 1 through 21) selection = chain 'EI' selection = chain 'EJ' selection = chain 'EK' selection = (chain 'EL' and resid 1 through 21) selection = chain 'EM' selection = chain 'EN' selection = chain 'EO' selection = (chain 'EP' and resid 1 through 21) selection = chain 'EQ' selection = chain 'ER' selection = chain 'ES' selection = (chain 'ET' and resid 1 through 21) selection = chain 'EU' selection = chain 'EV' selection = chain 'EW' selection = (chain 'EX' and resid 1 through 21) selection = chain 'EY' selection = chain 'EZ' selection = (chain 'F' and resid 1 through 21) selection = chain 'F0' selection = (chain 'F1' and resid 1 through 21) selection = chain 'F2' selection = chain 'F3' selection = chain 'F4' selection = (chain 'F5' and resid 1 through 21) selection = chain 'F6' selection = chain 'F7' selection = chain 'F8' selection = (chain 'F9' and resid 1 through 21) selection = chain 'FA' selection = chain 'FB' selection = chain 'FC' selection = (chain 'FD' and resid 1 through 21) selection = chain 'FE' selection = chain 'FF' selection = chain 'FG' selection = (chain 'FH' and resid 1 through 21) selection = chain 'FI' selection = chain 'FJ' selection = chain 'FK' selection = (chain 'FL' and resid 1 through 21) selection = chain 'FM' selection = chain 'FN' selection = chain 'FO' selection = (chain 'FP' and resid 1 through 21) selection = chain 'FQ' selection = chain 'FR' selection = chain 'FS' selection = (chain 'FT' and resid 1 through 21) selection = chain 'FU' selection = chain 'FV' selection = chain 'FW' selection = (chain 'FX' and resid 1 through 21) selection = chain 'FY' selection = chain 'FZ' selection = chain 'G' selection = chain 'G0' selection = (chain 'G1' and resid 1 through 21) selection = chain 'G2' selection = chain 'G3' selection = chain 'G4' selection = (chain 'G5' and resid 1 through 21) selection = chain 'G6' selection = chain 'G7' selection = chain 'G8' selection = (chain 'G9' and resid 1 through 21) selection = chain 'GA' selection = chain 'GB' selection = chain 'GC' selection = (chain 'GD' and resid 1 through 21) selection = chain 'GE' selection = chain 'GF' selection = chain 'GG' selection = (chain 'GH' and resid 1 through 21) selection = chain 'GI' selection = chain 'GJ' selection = chain 'GK' selection = (chain 'GL' and resid 1 through 21) selection = chain 'GM' selection = chain 'GN' selection = chain 'GO' selection = (chain 'GP' and resid 1 through 21) selection = chain 'GQ' selection = chain 'GR' selection = chain 'GS' selection = (chain 'GT' and resid 1 through 21) selection = chain 'GU' selection = chain 'GV' selection = chain 'GW' selection = (chain 'GX' and resid 1 through 21) selection = chain 'GY' selection = chain 'GZ' selection = chain 'H' selection = chain 'H0' selection = (chain 'H1' and resid 1 through 21) selection = chain 'H2' selection = chain 'H3' selection = chain 'H4' selection = (chain 'H5' and resid 1 through 21) selection = chain 'H6' selection = chain 'H7' selection = chain 'H8' selection = (chain 'H9' and resid 1 through 21) selection = chain 'HA' selection = chain 'HB' selection = chain 'HC' selection = (chain 'HD' and resid 1 through 21) selection = chain 'HE' selection = chain 'HF' selection = chain 'HG' selection = (chain 'HH' and resid 1 through 21) selection = chain 'HI' selection = chain 'HJ' selection = chain 'HK' selection = (chain 'HL' and resid 1 through 21) selection = chain 'HM' selection = chain 'HN' selection = chain 'HO' selection = (chain 'HP' and resid 1 through 21) selection = chain 'HQ' selection = chain 'HR' selection = chain 'HS' selection = (chain 'HT' and resid 1 through 21) selection = chain 'HU' selection = chain 'HV' selection = chain 'HW' selection = (chain 'HX' and resid 1 through 21) selection = chain 'HY' selection = chain 'HZ' selection = chain 'I' selection = chain 'I0' selection = (chain 'I1' and resid 1 through 21) selection = chain 'I2' selection = chain 'I3' selection = chain 'I4' selection = (chain 'I5' and resid 1 through 21) selection = chain 'I6' selection = chain 'I7' selection = chain 'I8' selection = (chain 'I9' and resid 1 through 21) selection = chain 'IA' selection = chain 'IB' selection = chain 'IC' selection = (chain 'ID' and resid 1 through 21) selection = chain 'IE' selection = chain 'IF' selection = chain 'IG' selection = (chain 'IH' and resid 1 through 21) selection = chain 'II' selection = chain 'IJ' selection = chain 'IK' selection = (chain 'IL' and resid 1 through 21) selection = chain 'IM' selection = chain 'IN' selection = chain 'IO' selection = (chain 'IP' and resid 1 through 21) selection = chain 'IQ' selection = chain 'IR' selection = chain 'IS' selection = (chain 'IT' and resid 1 through 21) selection = chain 'IU' selection = chain 'IV' selection = chain 'IW' selection = (chain 'IX' and resid 1 through 21) selection = chain 'IY' selection = chain 'IZ' selection = (chain 'J' and resid 1 through 21) selection = chain 'J0' selection = (chain 'J1' and resid 1 through 21) selection = chain 'J2' selection = chain 'J3' selection = chain 'J4' selection = (chain 'J5' and resid 1 through 21) selection = chain 'J6' selection = chain 'J7' selection = chain 'J8' selection = (chain 'J9' and resid 1 through 21) selection = chain 'JA' selection = chain 'JB' selection = chain 'JC' selection = (chain 'JD' and resid 1 through 21) selection = chain 'JE' selection = chain 'JF' selection = chain 'JG' selection = (chain 'JH' and resid 1 through 21) selection = chain 'JI' selection = chain 'JJ' selection = chain 'JK' selection = (chain 'JL' and resid 1 through 21) selection = chain 'JM' selection = chain 'JN' selection = chain 'JO' selection = (chain 'JP' and resid 1 through 21) selection = chain 'JQ' selection = chain 'JR' selection = chain 'JS' selection = (chain 'JT' and resid 1 through 21) selection = chain 'JU' selection = chain 'JV' selection = chain 'JW' selection = (chain 'JX' and resid 1 through 21) selection = chain 'JY' selection = chain 'JZ' selection = chain 'K' selection = chain 'K0' selection = (chain 'K1' and resid 1 through 21) selection = chain 'K2' selection = chain 'K3' selection = chain 'K4' selection = (chain 'K5' and resid 1 through 21) selection = chain 'K6' selection = chain 'K7' selection = chain 'K8' selection = (chain 'K9' and resid 1 through 21) selection = chain 'KA' selection = chain 'KB' selection = chain 'KC' selection = (chain 'KD' and resid 1 through 21) selection = chain 'KE' selection = chain 'KF' selection = chain 'KG' selection = (chain 'KH' and resid 1 through 21) selection = chain 'KI' selection = chain 'KJ' selection = chain 'KK' selection = (chain 'KL' and resid 1 through 21) selection = chain 'KM' selection = chain 'KN' selection = chain 'KO' selection = (chain 'KP' and resid 1 through 21) selection = chain 'KQ' selection = chain 'KR' selection = chain 'KS' selection = (chain 'KT' and resid 1 through 21) selection = chain 'KU' selection = chain 'KV' selection = chain 'KW' selection = (chain 'KX' and resid 1 through 21) selection = chain 'KY' selection = chain 'KZ' selection = chain 'L' selection = chain 'L0' selection = (chain 'L1' and resid 1 through 21) selection = chain 'L2' selection = chain 'L3' selection = chain 'L4' selection = (chain 'L5' and resid 1 through 21) selection = chain 'L6' selection = chain 'L7' selection = chain 'L8' selection = (chain 'L9' and resid 1 through 21) selection = chain 'LA' selection = chain 'LB' selection = chain 'LC' selection = (chain 'LD' and resid 1 through 21) selection = chain 'LE' selection = chain 'LF' selection = chain 'LG' selection = (chain 'LH' and resid 1 through 21) selection = chain 'LI' selection = chain 'LJ' selection = chain 'LK' selection = (chain 'LL' and resid 1 through 21) selection = chain 'LM' selection = chain 'LN' selection = chain 'LO' selection = (chain 'LP' and resid 1 through 21) selection = chain 'LQ' selection = chain 'LR' selection = chain 'LS' selection = (chain 'LT' and resid 1 through 21) selection = chain 'LU' selection = chain 'LV' selection = chain 'LW' selection = (chain 'LX' and resid 1 through 21) selection = chain 'LY' selection = chain 'LZ' selection = chain 'M' selection = chain 'M0' selection = (chain 'M1' and resid 1 through 21) selection = chain 'M2' selection = chain 'M3' selection = chain 'M4' selection = (chain 'M5' and resid 1 through 21) selection = chain 'M6' selection = chain 'M7' selection = chain 'M8' selection = (chain 'M9' and resid 1 through 21) selection = chain 'MA' selection = chain 'MB' selection = chain 'MC' selection = (chain 'MD' and resid 1 through 21) selection = chain 'ME' selection = chain 'MF' selection = chain 'MG' selection = (chain 'MH' and resid 1 through 21) selection = chain 'MI' selection = chain 'MJ' selection = chain 'MK' selection = (chain 'ML' and resid 1 through 21) selection = chain 'MM' selection = chain 'MN' selection = chain 'MO' selection = (chain 'MP' and resid 1 through 21) selection = chain 'MQ' selection = chain 'MR' selection = chain 'MS' selection = (chain 'MT' and resid 1 through 21) selection = chain 'MU' selection = chain 'MV' selection = chain 'MW' selection = (chain 'MX' and resid 1 through 21) selection = chain 'MY' selection = chain 'MZ' selection = (chain 'N' and resid 1 through 21) selection = chain 'N0' selection = (chain 'N1' and resid 1 through 21) selection = chain 'N2' selection = chain 'N3' selection = chain 'N4' selection = (chain 'N5' and resid 1 through 21) selection = chain 'N6' selection = chain 'N7' selection = chain 'N8' selection = (chain 'N9' and resid 1 through 21) selection = chain 'NA' selection = chain 'NB' selection = chain 'NC' selection = (chain 'ND' and resid 1 through 21) selection = chain 'NE' selection = chain 'NF' selection = chain 'NG' selection = (chain 'NH' and resid 1 through 21) selection = chain 'NI' selection = chain 'NJ' selection = chain 'NK' selection = (chain 'NL' and resid 1 through 21) selection = chain 'NM' selection = chain 'NN' selection = chain 'NO' selection = (chain 'NP' and resid 1 through 21) selection = chain 'NQ' selection = chain 'NR' selection = chain 'NS' selection = (chain 'NT' and resid 1 through 21) selection = chain 'NU' selection = chain 'NV' selection = chain 'NW' selection = (chain 'NX' and resid 1 through 21) selection = chain 'NY' selection = chain 'NZ' selection = chain 'O' selection = chain 'O0' selection = (chain 'O1' and resid 1 through 21) selection = chain 'O2' selection = chain 'O3' selection = chain 'O4' selection = (chain 'O5' and resid 1 through 21) selection = chain 'O6' selection = chain 'O7' selection = chain 'O8' selection = (chain 'O9' and resid 1 through 21) selection = chain 'OA' selection = chain 'OB' selection = chain 'OC' selection = (chain 'OD' and resid 1 through 21) selection = chain 'OE' selection = chain 'OF' selection = chain 'OG' selection = (chain 'OH' and resid 1 through 21) selection = chain 'OI' selection = chain 'OJ' selection = chain 'OK' selection = (chain 'OL' and resid 1 through 21) selection = chain 'OM' selection = chain 'ON' selection = chain 'OO' selection = (chain 'OP' and resid 1 through 21) selection = chain 'OQ' selection = chain 'OR' selection = chain 'OS' selection = (chain 'OT' and resid 1 through 21) selection = chain 'OU' selection = chain 'OV' selection = chain 'OW' selection = (chain 'OX' and resid 1 through 21) selection = chain 'OY' selection = chain 'OZ' selection = chain 'P' selection = chain 'P0' selection = (chain 'P1' and resid 1 through 21) selection = chain 'P2' selection = chain 'P3' selection = chain 'P4' selection = (chain 'P5' and resid 1 through 21) selection = chain 'P6' selection = chain 'P7' selection = chain 'P8' selection = (chain 'P9' and resid 1 through 21) selection = chain 'PA' selection = chain 'PB' selection = chain 'PC' selection = (chain 'PD' and resid 1 through 21) selection = chain 'PE' selection = chain 'PF' selection = chain 'PG' selection = (chain 'PH' and resid 1 through 21) selection = chain 'PI' selection = chain 'PJ' selection = chain 'PK' selection = (chain 'PL' and resid 1 through 21) selection = chain 'PM' selection = chain 'PN' selection = chain 'PO' selection = (chain 'PP' and resid 1 through 21) selection = chain 'PQ' selection = chain 'PR' selection = chain 'PS' selection = (chain 'PT' and resid 1 through 21) selection = chain 'PU' selection = chain 'PV' selection = chain 'PW' selection = (chain 'PX' and resid 1 through 21) selection = chain 'PY' selection = chain 'PZ' selection = chain 'Q' selection = chain 'Q0' selection = (chain 'Q1' and resid 1 through 21) selection = chain 'Q2' selection = chain 'Q3' selection = chain 'Q4' selection = (chain 'Q5' and resid 1 through 21) selection = chain 'Q6' selection = chain 'Q7' selection = chain 'Q8' selection = (chain 'Q9' and resid 1 through 21) selection = chain 'QA' selection = chain 'QB' selection = chain 'QC' selection = (chain 'QD' and resid 1 through 21) selection = chain 'QE' selection = chain 'QF' selection = chain 'QG' selection = (chain 'QH' and resid 1 through 21) selection = chain 'QI' selection = chain 'QJ' selection = chain 'QK' selection = (chain 'QL' and resid 1 through 21) selection = chain 'QM' selection = chain 'QN' selection = chain 'QO' selection = (chain 'QP' and resid 1 through 21) selection = chain 'QQ' selection = chain 'QR' selection = chain 'QS' selection = (chain 'QT' and resid 1 through 21) selection = chain 'QU' selection = chain 'QV' selection = chain 'QW' selection = (chain 'QX' and resid 1 through 21) selection = chain 'QY' selection = chain 'QZ' selection = (chain 'R' and resid 1 through 21) selection = chain 'R0' selection = (chain 'R1' and resid 1 through 21) selection = chain 'R2' selection = chain 'R3' selection = chain 'R4' selection = (chain 'R5' and resid 1 through 21) selection = chain 'R6' selection = chain 'R7' selection = chain 'R8' selection = (chain 'R9' and resid 1 through 21) selection = chain 'RA' selection = chain 'RB' selection = chain 'RC' selection = (chain 'RD' and resid 1 through 21) selection = chain 'RE' selection = chain 'RF' selection = chain 'RG' selection = (chain 'RH' and resid 1 through 21) selection = chain 'RI' selection = chain 'RJ' selection = chain 'RK' selection = (chain 'RL' and resid 1 through 21) selection = chain 'RM' selection = chain 'RN' selection = chain 'RO' selection = (chain 'RP' and resid 1 through 21) selection = chain 'RQ' selection = chain 'RR' selection = chain 'RS' selection = (chain 'RT' and resid 1 through 21) selection = chain 'RU' selection = chain 'RV' selection = chain 'RW' selection = (chain 'RX' and resid 1 through 21) selection = chain 'RY' selection = chain 'RZ' selection = chain 'S' selection = chain 'S0' selection = (chain 'S1' and resid 1 through 21) selection = chain 'S2' selection = chain 'S3' selection = chain 'S4' selection = (chain 'S5' and resid 1 through 21) selection = chain 'S6' selection = chain 'S7' selection = chain 'S8' selection = (chain 'S9' and resid 1 through 21) selection = chain 'SA' selection = chain 'SB' selection = chain 'SC' selection = (chain 'SD' and resid 1 through 21) selection = chain 'SE' selection = chain 'SF' selection = chain 'SG' selection = (chain 'SH' and resid 1 through 21) selection = chain 'SI' selection = chain 'SJ' selection = chain 'SK' selection = (chain 'SL' and resid 1 through 21) selection = chain 'SM' selection = chain 'SN' selection = chain 'SO' selection = (chain 'SP' and resid 1 through 21) selection = chain 'SQ' selection = chain 'SR' selection = chain 'SS' selection = (chain 'ST' and resid 1 through 21) selection = chain 'SU' selection = chain 'SV' selection = chain 'SW' selection = (chain 'SX' and resid 1 through 21) selection = chain 'SY' selection = chain 'SZ' selection = chain 'T' selection = chain 'T0' selection = (chain 'T1' and resid 1 through 21) selection = chain 'T2' selection = chain 'T3' selection = chain 'T4' selection = (chain 'T5' and resid 1 through 21) selection = chain 'T6' selection = chain 'T7' selection = chain 'T8' selection = (chain 'T9' and resid 1 through 21) selection = chain 'TA' selection = chain 'TB' selection = chain 'TC' selection = (chain 'TD' and resid 1 through 21) selection = chain 'TE' selection = chain 'TF' selection = chain 'TG' selection = (chain 'TH' and resid 1 through 21) selection = chain 'TI' selection = chain 'TJ' selection = chain 'TK' selection = (chain 'TL' and resid 1 through 21) selection = chain 'TM' selection = chain 'TN' selection = chain 'TO' selection = (chain 'TP' and resid 1 through 21) selection = chain 'TQ' selection = chain 'TR' selection = chain 'TS' selection = (chain 'TT' and resid 1 through 21) selection = chain 'TU' selection = chain 'TV' selection = chain 'TW' selection = (chain 'TX' and resid 1 through 21) selection = chain 'TY' selection = chain 'TZ' selection = chain 'U' selection = chain 'UA' selection = chain 'UB' selection = chain 'UC' selection = (chain 'UD' and resid 1 through 21) selection = chain 'UE' selection = chain 'UF' selection = chain 'UG' selection = (chain 'UH' and resid 1 through 21) selection = chain 'UI' selection = chain 'UJ' selection = chain 'UK' selection = (chain 'UL' and resid 1 through 21) selection = chain 'UM' selection = chain 'UN' selection = chain 'UO' selection = (chain 'UP' and resid 1 through 21) selection = chain 'UQ' selection = chain 'UR' selection = chain 'US' selection = (chain 'UT' and resid 1 through 21) selection = chain 'UU' selection = chain 'UV' selection = (chain 'V' and resid 1 through 21) selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = (chain 'Z' and resid 1 through 21) selection = chain 'a' selection = (chain 'b' and resid 1 through 21) selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = (chain 'f' and resid 1 through 21) selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = (chain 'j' and resid 1 through 21) selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = (chain 'n' and resid 1 through 21) selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = (chain 'r' and resid 1 through 21) selection = chain 's' selection = chain 't' selection = chain 'u' selection = (chain 'v' and resid 1 through 21) selection = chain 'w' selection = chain 'x' selection = chain 'y' selection = (chain 'z' and resid 1 through 21) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 5.160 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.020 Construct map_model_manager: 0.230 Extract box with map and model: 20.900 Check model and map are aligned: 1.610 Set scattering table: 1.050 Process input model: 284.630 Find NCS groups from input model: 15.760 Set up NCS constraints: 0.540 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.030 Load rotamer database and sin/cos tables:2.550 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 332.480 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8639 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.024 146328 Z= 0.403 Angle : 0.622 9.008 191955 Z= 0.308 Chirality : 0.031 0.121 19497 Planarity : 0.002 0.005 22914 Dihedral : 14.377 46.293 52863 Min Nonbonded Distance : 2.505 Molprobity Statistics. All-atom Clashscore : 10.59 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.49 % Favored : 93.51 % Rotamer: Outliers : 0.00 % Allowed : 16.44 % Favored : 83.56 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.42 (0.05), residues: 15477 helix: -2.39 (0.03), residues: 13869 sheet: None (None), residues: 0 loop : -5.38 (0.07), residues: 1608 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.010 0.001 PHED0 10 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6311 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 6311 time to evaluate : 13.464 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 1 MET cc_start: 0.7297 (pmm) cc_final: 0.6893 (pmm) REVERT: A 6 LYS cc_start: 0.9131 (ttmm) cc_final: 0.8260 (tmtt) REVERT: A 13 ASP cc_start: 0.8803 (m-30) cc_final: 0.8550 (m-30) REVERT: A 17 LYS cc_start: 0.9287 (mtpp) cc_final: 0.8838 (pptt) REVERT: B 6 LYS cc_start: 0.9242 (ptmt) cc_final: 0.8856 (pptt) REVERT: B 21 ASN cc_start: 0.7678 (p0) cc_final: 0.7415 (p0) REVERT: C 1 MET cc_start: 0.7077 (tmm) cc_final: 0.6660 (tmm) REVERT: D 1 MET cc_start: 0.7599 (ptt) cc_final: 0.5719 (mmt) REVERT: E 6 LYS cc_start: 0.9110 (ttmm) cc_final: 0.8237 (tmtt) REVERT: E 9 LYS cc_start: 0.9281 (tptt) cc_final: 0.8959 (tptt) REVERT: E 17 LYS cc_start: 0.9335 (mtpp) cc_final: 0.8866 (pptt) REVERT: F 6 LYS cc_start: 0.9258 (ptmt) cc_final: 0.8700 (pptt) REVERT: F 12 LYS cc_start: 0.9369 (tmmt) cc_final: 0.9129 (tmmt) REVERT: H 1 MET cc_start: 0.7605 (ptt) cc_final: 0.5527 (mmt) REVERT: H 11 PHE cc_start: 0.8935 (m-10) cc_final: 0.8635 (m-80) REVERT: I 6 LYS cc_start: 0.9042 (ttmm) cc_final: 0.8210 (tmtt) REVERT: I 9 LYS cc_start: 0.9252 (tptt) cc_final: 0.8936 (tptp) REVERT: I 13 ASP cc_start: 0.8808 (m-30) cc_final: 0.8241 (m-30) REVERT: I 17 LYS cc_start: 0.9347 (mtpp) cc_final: 0.8930 (pttt) REVERT: J 6 LYS cc_start: 0.9308 (ptmt) cc_final: 0.8781 (pptt) REVERT: J 13 ASP cc_start: 0.9020 (t0) cc_final: 0.8678 (t0) REVERT: K 18 PHE cc_start: 0.8696 (t80) cc_final: 0.8472 (t80) REVERT: L 2 GLU cc_start: 0.8506 (pm20) cc_final: 0.8208 (pm20) REVERT: M 6 LYS cc_start: 0.9185 (ttmm) cc_final: 0.8358 (tmtt) REVERT: M 13 ASP cc_start: 0.8753 (m-30) cc_final: 0.8457 (m-30) REVERT: M 17 LYS cc_start: 0.9288 (mtpp) cc_final: 0.8895 (pttt) REVERT: N 6 LYS cc_start: 0.9319 (ptmt) cc_final: 0.8856 (pttp) REVERT: P 1 MET cc_start: 0.7380 (ptt) cc_final: 0.5502 (mmt) REVERT: P 2 GLU cc_start: 0.8396 (pm20) cc_final: 0.8164 (pm20) REVERT: P 11 PHE cc_start: 0.9001 (m-10) cc_final: 0.8626 (m-80) REVERT: Q 6 LYS cc_start: 0.9048 (ttmm) cc_final: 0.8031 (tmtt) REVERT: Q 9 LYS cc_start: 0.9304 (tptt) cc_final: 0.8979 (tptm) REVERT: Q 13 ASP cc_start: 0.8626 (m-30) cc_final: 0.7963 (m-30) REVERT: Q 17 LYS cc_start: 0.9285 (mtpp) cc_final: 0.8924 (pttt) REVERT: R 6 LYS cc_start: 0.9370 (ptmt) cc_final: 0.8791 (pptt) REVERT: T 12 LYS cc_start: 0.9235 (tttm) cc_final: 0.8679 (tppt) REVERT: U 6 LYS cc_start: 0.9042 (ttmm) cc_final: 0.8268 (tmtt) REVERT: U 17 LYS cc_start: 0.9230 (mtpp) cc_final: 0.8990 (pttt) REVERT: V 6 LYS cc_start: 0.9166 (ptmt) cc_final: 0.8707 (pptt) REVERT: X 1 MET cc_start: 0.7411 (ptt) cc_final: 0.5324 (mmt) REVERT: Y 1 MET cc_start: 0.7422 (pmm) cc_final: 0.7086 (pmm) REVERT: Y 6 LYS cc_start: 0.9072 (ttmm) cc_final: 0.8378 (tmtt) REVERT: Y 9 LYS cc_start: 0.9323 (tptt) cc_final: 0.8974 (tptt) REVERT: Y 17 LYS cc_start: 0.9300 (mtpp) cc_final: 0.8749 (pptt) REVERT: Z 6 LYS cc_start: 0.9208 (ptmt) cc_final: 0.8635 (pptt) REVERT: 0 2 GLU cc_start: 0.8070 (tm-30) cc_final: 0.7739 (tp30) REVERT: 0 17 LYS cc_start: 0.9165 (mttt) cc_final: 0.8018 (tmtt) REVERT: 1 12 LYS cc_start: 0.9278 (tttm) cc_final: 0.8610 (tppt) REVERT: 2 6 LYS cc_start: 0.9016 (ttmm) cc_final: 0.8108 (tmtt) REVERT: 2 13 ASP cc_start: 0.8663 (m-30) cc_final: 0.8202 (m-30) REVERT: 2 17 LYS cc_start: 0.9223 (mtpp) cc_final: 0.8907 (pptt) REVERT: 3 6 LYS cc_start: 0.9148 (ptmt) cc_final: 0.8729 (pptt) REVERT: 3 21 ASN cc_start: 0.7378 (p0) cc_final: 0.6992 (p0) REVERT: 5 1 MET cc_start: 0.7437 (ptt) cc_final: 0.5807 (mmt) REVERT: 5 11 PHE cc_start: 0.9083 (m-10) cc_final: 0.8694 (m-80) REVERT: 6 6 LYS cc_start: 0.9029 (ttmm) cc_final: 0.8326 (tmtt) REVERT: 6 17 LYS cc_start: 0.9359 (mtpp) cc_final: 0.8961 (pptt) REVERT: 7 6 LYS cc_start: 0.9172 (ptmt) cc_final: 0.8700 (pptt) REVERT: 8 17 LYS cc_start: 0.9293 (mttt) cc_final: 0.8299 (tmtt) REVERT: a 1 MET cc_start: 0.7614 (pmm) cc_final: 0.6618 (pmm) REVERT: a 6 LYS cc_start: 0.9032 (ttmm) cc_final: 0.8199 (tmtt) REVERT: a 9 LYS cc_start: 0.9257 (tptt) cc_final: 0.9045 (tptp) REVERT: a 13 ASP cc_start: 0.8737 (m-30) cc_final: 0.8302 (m-30) REVERT: a 17 LYS cc_start: 0.9334 (mtpp) cc_final: 0.8802 (pttt) REVERT: b 6 LYS cc_start: 0.9227 (ptmt) cc_final: 0.8665 (pptt) REVERT: b 21 ASN cc_start: 0.7807 (p0) cc_final: 0.7594 (p0) REVERT: c 17 LYS cc_start: 0.9253 (mttt) cc_final: 0.8191 (tmtt) REVERT: e 6 LYS cc_start: 0.9012 (ttmm) cc_final: 0.8221 (tmtt) REVERT: e 17 LYS cc_start: 0.9292 (mtpp) cc_final: 0.8835 (pptt) REVERT: f 6 LYS cc_start: 0.9288 (ptmt) cc_final: 0.8808 (pttt) REVERT: f 15 LEU cc_start: 0.8988 (tt) cc_final: 0.8661 (tp) REVERT: f 21 ASN cc_start: 0.7700 (p0) cc_final: 0.7105 (p0) REVERT: h 1 MET cc_start: 0.7517 (ptt) cc_final: 0.5774 (mmt) REVERT: h 15 LEU cc_start: 0.9673 (tp) cc_final: 0.9472 (tp) REVERT: i 6 LYS cc_start: 0.9099 (ttmm) cc_final: 0.8268 (tmtt) REVERT: i 9 LYS cc_start: 0.9267 (tptt) cc_final: 0.8889 (tptt) REVERT: i 17 LYS cc_start: 0.9376 (mtpp) cc_final: 0.8896 (pptt) REVERT: j 6 LYS cc_start: 0.9278 (ptmt) cc_final: 0.8780 (pptt) REVERT: j 12 LYS cc_start: 0.9382 (tmmt) cc_final: 0.9123 (tmmt) REVERT: k 1 MET cc_start: 0.7107 (tmm) cc_final: 0.6630 (tmm) REVERT: l 2 GLU cc_start: 0.8560 (pm20) cc_final: 0.8331 (pm20) REVERT: m 6 LYS cc_start: 0.9072 (ttmm) cc_final: 0.8345 (tmtt) REVERT: m 9 LYS cc_start: 0.9339 (tptt) cc_final: 0.9041 (tptm) REVERT: m 13 ASP cc_start: 0.8721 (m-30) cc_final: 0.8175 (m-30) REVERT: m 17 LYS cc_start: 0.9210 (mtpp) cc_final: 0.8932 (pptt) REVERT: n 6 LYS cc_start: 0.9283 (ptmt) cc_final: 0.8929 (pttp) REVERT: p 1 MET cc_start: 0.7484 (ptt) cc_final: 0.5730 (mmt) REVERT: q 2 GLU cc_start: 0.8955 (tp30) cc_final: 0.8579 (tp30) REVERT: q 9 LYS cc_start: 0.9227 (tptt) cc_final: 0.8822 (tptp) REVERT: q 13 ASP cc_start: 0.8741 (m-30) cc_final: 0.7680 (m-30) REVERT: u 1 MET cc_start: 0.7544 (pmm) cc_final: 0.6648 (pmm) REVERT: u 2 GLU cc_start: 0.8952 (tp30) cc_final: 0.8303 (tp30) REVERT: v 6 LYS cc_start: 0.9365 (ptmt) cc_final: 0.9043 (ptpp) REVERT: v 21 ASN cc_start: 0.7288 (p0) cc_final: 0.6885 (p0) REVERT: x 15 LEU cc_start: 0.9596 (tp) cc_final: 0.9377 (tp) REVERT: y 2 GLU cc_start: 0.8866 (tp30) cc_final: 0.8472 (tp30) REVERT: y 9 LYS cc_start: 0.9248 (tptt) cc_final: 0.8992 (tptp) REVERT: AC 2 GLU cc_start: 0.8967 (tp30) cc_final: 0.8501 (tp30) REVERT: AD 6 LYS cc_start: 0.9483 (ptmt) cc_final: 0.9273 (ptpp) REVERT: AD 12 LYS cc_start: 0.9370 (tmmt) cc_final: 0.9155 (tmmt) REVERT: AD 21 ASN cc_start: 0.7310 (p0) cc_final: 0.6869 (p0) REVERT: AG 1 MET cc_start: 0.7264 (pmm) cc_final: 0.6663 (pmm) REVERT: AG 2 GLU cc_start: 0.8875 (tp30) cc_final: 0.8550 (tp30) REVERT: AH 6 LYS cc_start: 0.9387 (ptmt) cc_final: 0.9072 (ptmt) REVERT: AH 21 ASN cc_start: 0.7513 (p0) cc_final: 0.7140 (p0) REVERT: AJ 13 ASP cc_start: 0.9079 (t0) cc_final: 0.8703 (t0) REVERT: AK 1 MET cc_start: 0.7396 (pmm) cc_final: 0.6465 (pmm) REVERT: AK 2 GLU cc_start: 0.8839 (tp30) cc_final: 0.8183 (tp30) REVERT: AL 6 LYS cc_start: 0.9448 (ptmt) cc_final: 0.9159 (ptpp) REVERT: AL 12 LYS cc_start: 0.9425 (tmmt) cc_final: 0.9107 (tmmt) REVERT: AL 21 ASN cc_start: 0.7454 (p0) cc_final: 0.7180 (p0) REVERT: AM 1 MET cc_start: 0.7203 (tmm) cc_final: 0.6970 (tmm) REVERT: AO 1 MET cc_start: 0.7583 (pmm) cc_final: 0.7254 (pmm) REVERT: AO 2 GLU cc_start: 0.8926 (tp30) cc_final: 0.8258 (tp30) REVERT: AO 9 LYS cc_start: 0.9198 (tptt) cc_final: 0.8978 (tptm) REVERT: AS 2 GLU cc_start: 0.8897 (tp30) cc_final: 0.8297 (tp30) REVERT: AS 9 LYS cc_start: 0.9223 (tptt) cc_final: 0.8814 (tptm) REVERT: AS 13 ASP cc_start: 0.8568 (m-30) cc_final: 0.7783 (m-30) REVERT: AT 6 LYS cc_start: 0.9370 (ptmt) cc_final: 0.9049 (ptpp) REVERT: AW 2 GLU cc_start: 0.8952 (tp30) cc_final: 0.8259 (tp30) REVERT: AX 6 LYS cc_start: 0.9381 (ptmt) cc_final: 0.9159 (ptpp) REVERT: AX 12 LYS cc_start: 0.9353 (tmmt) cc_final: 0.8992 (tmmt) REVERT: AX 21 ASN cc_start: 0.7274 (p0) cc_final: 0.6684 (p0) REVERT: A0 9 LYS cc_start: 0.9328 (tptt) cc_final: 0.8892 (tptm) REVERT: A0 13 ASP cc_start: 0.8575 (m-30) cc_final: 0.7631 (m-30) REVERT: A1 21 ASN cc_start: 0.7334 (p0) cc_final: 0.6904 (p0) REVERT: A4 2 GLU cc_start: 0.8817 (tp30) cc_final: 0.8409 (tp30) REVERT: A4 9 LYS cc_start: 0.9165 (tptt) cc_final: 0.8733 (tptp) REVERT: A4 13 ASP cc_start: 0.8567 (m-30) cc_final: 0.7655 (m-30) REVERT: A5 1 MET cc_start: 0.7801 (mtm) cc_final: 0.7539 (mtm) REVERT: A5 21 ASN cc_start: 0.7568 (p0) cc_final: 0.7211 (p0) REVERT: A8 2 GLU cc_start: 0.8905 (tp30) cc_final: 0.8634 (tp30) REVERT: A8 9 LYS cc_start: 0.9183 (tptt) cc_final: 0.8642 (tptm) REVERT: A8 13 ASP cc_start: 0.8707 (m-30) cc_final: 0.7704 (m-30) REVERT: A9 6 LYS cc_start: 0.9413 (ptmt) cc_final: 0.9115 (ptpp) REVERT: BB 2 GLU cc_start: 0.8397 (pm20) cc_final: 0.8162 (pm20) REVERT: BC 2 GLU cc_start: 0.9012 (tp30) cc_final: 0.8512 (tp30) REVERT: BC 9 LYS cc_start: 0.9305 (tptt) cc_final: 0.8901 (tptm) REVERT: BC 13 ASP cc_start: 0.8638 (m-30) cc_final: 0.8028 (m-30) REVERT: BD 21 ASN cc_start: 0.7769 (p0) cc_final: 0.7549 (p0) REVERT: BG 2 GLU cc_start: 0.8929 (tp30) cc_final: 0.8722 (tp30) REVERT: BG 13 ASP cc_start: 0.8621 (m-30) cc_final: 0.8225 (m-30) REVERT: BH 6 LYS cc_start: 0.9422 (ptmt) cc_final: 0.9106 (ptpp) REVERT: BK 9 LYS cc_start: 0.9148 (tptt) cc_final: 0.8684 (tptm) REVERT: BK 13 ASP cc_start: 0.8605 (m-30) cc_final: 0.7711 (m-30) REVERT: BL 21 ASN cc_start: 0.7472 (p0) cc_final: 0.7251 (p0) REVERT: BM 1 MET cc_start: 0.7300 (tmm) cc_final: 0.6956 (tmm) REVERT: BN 2 GLU cc_start: 0.8492 (pm20) cc_final: 0.8244 (pm20) REVERT: BO 2 GLU cc_start: 0.9079 (tp30) cc_final: 0.8629 (tp30) REVERT: BP 6 LYS cc_start: 0.9484 (ptmt) cc_final: 0.9230 (ptpp) REVERT: BR 2 GLU cc_start: 0.8535 (pm20) cc_final: 0.7989 (pm20) REVERT: BT 6 LYS cc_start: 0.9430 (ptmt) cc_final: 0.9065 (ptpp) REVERT: BW 2 GLU cc_start: 0.8826 (tp30) cc_final: 0.8528 (tp30) REVERT: BW 9 LYS cc_start: 0.9209 (tptt) cc_final: 0.8860 (tptt) REVERT: BX 12 LYS cc_start: 0.9358 (tmmt) cc_final: 0.9004 (tmmt) REVERT: BX 21 ASN cc_start: 0.7452 (p0) cc_final: 0.7204 (p0) REVERT: BY 1 MET cc_start: 0.7151 (tmm) cc_final: 0.6760 (tmm) REVERT: B0 2 GLU cc_start: 0.9014 (tp30) cc_final: 0.8757 (tp30) REVERT: B0 9 LYS cc_start: 0.9334 (tptt) cc_final: 0.8806 (tptp) REVERT: B0 13 ASP cc_start: 0.8643 (m-30) cc_final: 0.7954 (m-30) REVERT: B1 6 LYS cc_start: 0.9386 (ptmt) cc_final: 0.9124 (ptpp) REVERT: B1 21 ASN cc_start: 0.7430 (p0) cc_final: 0.7113 (p0) REVERT: B3 11 PHE cc_start: 0.9106 (m-10) cc_final: 0.8698 (m-80) REVERT: B4 2 GLU cc_start: 0.8712 (tp30) cc_final: 0.8029 (tp30) REVERT: B4 6 LYS cc_start: 0.9029 (ttmm) cc_final: 0.8816 (mmtp) REVERT: B4 9 LYS cc_start: 0.9337 (tptt) cc_final: 0.9026 (tptt) REVERT: B5 6 LYS cc_start: 0.9396 (ptmt) cc_final: 0.9040 (ptmt) REVERT: B5 12 LYS cc_start: 0.9418 (tmmt) cc_final: 0.9121 (tmmt) REVERT: B8 9 LYS cc_start: 0.9122 (tptt) cc_final: 0.8852 (tptt) REVERT: B8 13 ASP cc_start: 0.8595 (m-30) cc_final: 0.8275 (m-30) REVERT: B9 12 LYS cc_start: 0.9312 (tmmt) cc_final: 0.9079 (tmmt) REVERT: B9 21 ASN cc_start: 0.7647 (p0) cc_final: 0.7061 (p0) REVERT: CD 6 LYS cc_start: 0.9325 (ptmt) cc_final: 0.9023 (ptpp) REVERT: CD 21 ASN cc_start: 0.7448 (p0) cc_final: 0.6868 (p0) REVERT: CG 2 GLU cc_start: 0.8782 (tp30) cc_final: 0.8097 (tp30) REVERT: CG 9 LYS cc_start: 0.9167 (tptt) cc_final: 0.8830 (tptm) REVERT: CG 13 ASP cc_start: 0.8671 (m-30) cc_final: 0.8088 (m-30) REVERT: CH 12 LYS cc_start: 0.9393 (tmmt) cc_final: 0.9069 (tmmt) REVERT: CK 2 GLU cc_start: 0.8922 (tp30) cc_final: 0.8552 (tp30) REVERT: CK 13 ASP cc_start: 0.8626 (m-30) cc_final: 0.8417 (m-30) REVERT: CL 1 MET cc_start: 0.7608 (mtm) cc_final: 0.7368 (mtm) REVERT: CL 12 LYS cc_start: 0.9440 (tmmt) cc_final: 0.9123 (tmmt) REVERT: CM 9 LYS cc_start: 0.9459 (tppt) cc_final: 0.9230 (tppt) REVERT: CO 2 GLU cc_start: 0.8857 (tp30) cc_final: 0.8335 (tp30) REVERT: CO 9 LYS cc_start: 0.9207 (tptt) cc_final: 0.8936 (tptt) REVERT: CO 13 ASP cc_start: 0.8691 (m-30) cc_final: 0.8322 (m-30) REVERT: CP 21 ASN cc_start: 0.7529 (p0) cc_final: 0.7257 (p0) REVERT: CR 1 MET cc_start: 0.7002 (ptt) cc_final: 0.6787 (ptp) REVERT: CS 2 GLU cc_start: 0.8851 (tp30) cc_final: 0.8470 (tp30) REVERT: CS 9 LYS cc_start: 0.9296 (tptt) cc_final: 0.9089 (tptm) REVERT: CT 6 LYS cc_start: 0.9428 (ptmt) cc_final: 0.9209 (ptpp) REVERT: CT 21 ASN cc_start: 0.7603 (p0) cc_final: 0.7055 (p0) REVERT: CU 17 LYS cc_start: 0.9241 (mttt) cc_final: 0.9009 (mttm) REVERT: CW 6 LYS cc_start: 0.9176 (ttmm) cc_final: 0.8939 (mmtm) REVERT: CX 6 LYS cc_start: 0.9420 (ptmt) cc_final: 0.9068 (ptpp) REVERT: CX 21 ASN cc_start: 0.7030 (p0) cc_final: 0.6777 (p0) REVERT: C0 9 LYS cc_start: 0.9265 (tptt) cc_final: 0.8636 (tptt) REVERT: C0 13 ASP cc_start: 0.8677 (m-30) cc_final: 0.7724 (m-30) REVERT: C3 2 GLU cc_start: 0.8355 (pm20) cc_final: 0.8149 (pm20) REVERT: C4 2 GLU cc_start: 0.8885 (tp30) cc_final: 0.8590 (tp30) REVERT: C8 1 MET cc_start: 0.7180 (pmm) cc_final: 0.6464 (pmm) REVERT: C8 2 GLU cc_start: 0.8728 (tp30) cc_final: 0.7923 (tp30) REVERT: C8 9 LYS cc_start: 0.9312 (tptt) cc_final: 0.9014 (tptp) REVERT: C8 13 ASP cc_start: 0.8708 (m-30) cc_final: 0.7757 (m-30) REVERT: C8 17 LYS cc_start: 0.9290 (mtpp) cc_final: 0.9082 (mtpp) REVERT: C9 12 LYS cc_start: 0.9438 (tmmt) cc_final: 0.9134 (tmmt) REVERT: C9 21 ASN cc_start: 0.7585 (p0) cc_final: 0.7293 (p0) REVERT: DA 1 MET cc_start: 0.7305 (tmm) cc_final: 0.6947 (tmm) REVERT: DB 2 GLU cc_start: 0.8431 (pm20) cc_final: 0.8211 (pm20) REVERT: DC 2 GLU cc_start: 0.8682 (tp30) cc_final: 0.8464 (tp30) REVERT: DC 9 LYS cc_start: 0.9253 (tptt) cc_final: 0.8858 (tptp) REVERT: DC 13 ASP cc_start: 0.8738 (m-30) cc_final: 0.8139 (m-30) REVERT: DD 6 LYS cc_start: 0.9433 (ptmt) cc_final: 0.9099 (ptpp) REVERT: DE 1 MET cc_start: 0.7237 (tmm) cc_final: 0.6977 (tmm) REVERT: DH 1 MET cc_start: 0.7601 (mtm) cc_final: 0.7284 (mtm) REVERT: DH 12 LYS cc_start: 0.9407 (tmmt) cc_final: 0.9175 (tmmt) REVERT: DI 1 MET cc_start: 0.7430 (tmm) cc_final: 0.7178 (tmm) REVERT: DK 1 MET cc_start: 0.7311 (pmm) cc_final: 0.6465 (pmm) REVERT: DK 2 GLU cc_start: 0.9001 (tp30) cc_final: 0.8491 (tp30) REVERT: DL 1 MET cc_start: 0.7524 (mtm) cc_final: 0.7040 (mtm) REVERT: DM 17 LYS cc_start: 0.9311 (mttt) cc_final: 0.9086 (ttmm) REVERT: DN 15 LEU cc_start: 0.9567 (tp) cc_final: 0.9310 (tp) REVERT: DP 6 LYS cc_start: 0.9430 (ptmt) cc_final: 0.9156 (ptpp) REVERT: DR 1 MET cc_start: 0.7197 (ptt) cc_final: 0.6936 (ptm) REVERT: DS 1 MET cc_start: 0.7379 (pmm) cc_final: 0.7000 (pmm) REVERT: DS 2 GLU cc_start: 0.8881 (tp30) cc_final: 0.8268 (tp30) REVERT: DS 9 LYS cc_start: 0.9221 (tptt) cc_final: 0.8891 (tptt) REVERT: DT 6 LYS cc_start: 0.9389 (ptmt) cc_final: 0.8936 (ptmt) REVERT: DT 9 LYS cc_start: 0.9323 (tptp) cc_final: 0.8785 (tptp) REVERT: DT 12 LYS cc_start: 0.9421 (tmmt) cc_final: 0.9010 (tmmt) REVERT: DV 2 GLU cc_start: 0.8170 (pm20) cc_final: 0.7749 (pm20) REVERT: DW 1 MET cc_start: 0.7579 (pmm) cc_final: 0.7331 (pmm) REVERT: DX 21 ASN cc_start: 0.7627 (p0) cc_final: 0.7344 (p0) REVERT: DZ 2 GLU cc_start: 0.8428 (pm20) cc_final: 0.8173 (pm20) REVERT: DZ 11 PHE cc_start: 0.9070 (m-10) cc_final: 0.8716 (m-80) REVERT: D0 2 GLU cc_start: 0.8805 (tp30) cc_final: 0.8263 (tp30) REVERT: D0 6 LYS cc_start: 0.9143 (ttmm) cc_final: 0.8893 (mmtm) REVERT: D4 2 GLU cc_start: 0.8988 (tp30) cc_final: 0.8649 (tp30) REVERT: D4 9 LYS cc_start: 0.9265 (tptt) cc_final: 0.9060 (tptm) REVERT: D4 13 ASP cc_start: 0.8679 (m-30) cc_final: 0.8326 (m-30) REVERT: D5 6 LYS cc_start: 0.9338 (ptmt) cc_final: 0.9101 (ptpp) REVERT: D5 12 LYS cc_start: 0.9439 (tmmt) cc_final: 0.9220 (tmmt) REVERT: D5 21 ASN cc_start: 0.7478 (p0) cc_final: 0.6938 (p0) REVERT: D7 2 GLU cc_start: 0.8508 (pm20) cc_final: 0.8236 (pm20) REVERT: D8 1 MET cc_start: 0.7554 (pmm) cc_final: 0.7205 (pmm) REVERT: D8 9 LYS cc_start: 0.9227 (tptt) cc_final: 0.9009 (tptm) REVERT: EA 1 MET cc_start: 0.7152 (tmm) cc_final: 0.6723 (tmm) REVERT: EC 9 LYS cc_start: 0.9337 (tptt) cc_final: 0.8839 (tptt) REVERT: ED 1 MET cc_start: 0.7289 (mtm) cc_final: 0.6721 (mtm) REVERT: ED 12 LYS cc_start: 0.9384 (tmmt) cc_final: 0.9060 (tmmt) REVERT: EF 2 GLU cc_start: 0.8479 (pm20) cc_final: 0.8173 (pm20) REVERT: EG 2 GLU cc_start: 0.8863 (tp30) cc_final: 0.8315 (tp30) REVERT: EG 6 LYS cc_start: 0.9113 (ttmm) cc_final: 0.8858 (mmtm) REVERT: EG 9 LYS cc_start: 0.9335 (tptt) cc_final: 0.8995 (tptp) REVERT: EG 13 ASP cc_start: 0.8664 (m-30) cc_final: 0.7981 (m-30) REVERT: EH 6 LYS cc_start: 0.9447 (ptmt) cc_final: 0.9086 (ptpp) REVERT: EK 2 GLU cc_start: 0.8879 (tp30) cc_final: 0.8306 (tp30) REVERT: EK 9 LYS cc_start: 0.9198 (tptt) cc_final: 0.8957 (tptp) REVERT: EK 13 ASP cc_start: 0.8584 (m-30) cc_final: 0.8201 (m-30) REVERT: EL 21 ASN cc_start: 0.7283 (p0) cc_final: 0.6933 (p0) REVERT: EO 2 GLU cc_start: 0.9009 (tp30) cc_final: 0.8552 (tp30) REVERT: EO 9 LYS cc_start: 0.9239 (tptt) cc_final: 0.8938 (tptm) REVERT: EO 15 LEU cc_start: 0.8097 (tt) cc_final: 0.7746 (tp) REVERT: EP 1 MET cc_start: 0.7539 (mtm) cc_final: 0.7240 (mtm) REVERT: EP 6 LYS cc_start: 0.9431 (ptmt) cc_final: 0.9032 (ptpp) REVERT: EQ 13 ASP cc_start: 0.9078 (t70) cc_final: 0.8864 (t0) REVERT: ES 2 GLU cc_start: 0.8831 (tp30) cc_final: 0.8520 (tp30) REVERT: ES 9 LYS cc_start: 0.9221 (tptt) cc_final: 0.8937 (tptp) REVERT: ET 12 LYS cc_start: 0.9405 (tmmt) cc_final: 0.9094 (tmmt) REVERT: EX 6 LYS cc_start: 0.9426 (ptmt) cc_final: 0.9091 (ptpp) REVERT: EX 12 LYS cc_start: 0.9362 (tmmt) cc_final: 0.9004 (tmmt) REVERT: EY 17 LYS cc_start: 0.9262 (mttt) cc_final: 0.8946 (ttmm) REVERT: EZ 1 MET cc_start: 0.7011 (ptt) cc_final: 0.6773 (ptm) REVERT: EZ 2 GLU cc_start: 0.8446 (pm20) cc_final: 0.8195 (pm20) REVERT: E0 2 GLU cc_start: 0.8729 (tp30) cc_final: 0.8454 (tp30) REVERT: E0 9 LYS cc_start: 0.9280 (tptt) cc_final: 0.9010 (tptm) REVERT: E0 13 ASP cc_start: 0.8553 (m-30) cc_final: 0.8131 (m-30) REVERT: E1 6 LYS cc_start: 0.9444 (ptmt) cc_final: 0.9092 (ptmt) REVERT: E2 17 LYS cc_start: 0.9423 (mttt) cc_final: 0.9153 (ttmm) REVERT: E4 1 MET cc_start: 0.7454 (pmm) cc_final: 0.6457 (pmm) REVERT: E4 2 GLU cc_start: 0.8976 (tp30) cc_final: 0.8302 (tp30) REVERT: E4 9 LYS cc_start: 0.9280 (tptt) cc_final: 0.9024 (tptm) REVERT: E4 13 ASP cc_start: 0.8488 (m-30) cc_final: 0.8030 (m-30) REVERT: E8 9 LYS cc_start: 0.9287 (tptt) cc_final: 0.9008 (tptm) REVERT: E8 13 ASP cc_start: 0.8508 (m-30) cc_final: 0.7990 (m-30) REVERT: FA 3 PHE cc_start: 0.8823 (m-80) cc_final: 0.8483 (m-10) REVERT: FC 2 GLU cc_start: 0.8840 (tp30) cc_final: 0.8151 (tp30) REVERT: FC 9 LYS cc_start: 0.9130 (tptt) cc_final: 0.8845 (tptt) REVERT: FD 6 LYS cc_start: 0.9367 (ptmt) cc_final: 0.8961 (ptmt) REVERT: FD 21 ASN cc_start: 0.7313 (p0) cc_final: 0.7067 (p0) REVERT: FF 1 MET cc_start: 0.7061 (ptt) cc_final: 0.6768 (ptm) REVERT: FG 2 GLU cc_start: 0.8882 (tp30) cc_final: 0.8504 (tp30) REVERT: FH 6 LYS cc_start: 0.9429 (ptmt) cc_final: 0.9032 (ptpp) REVERT: FH 12 LYS cc_start: 0.9301 (tmmt) cc_final: 0.9087 (tmmt) REVERT: FL 6 LYS cc_start: 0.9387 (ptmt) cc_final: 0.9057 (ptpp) REVERT: FO 2 GLU cc_start: 0.8868 (tp30) cc_final: 0.8619 (tp30) REVERT: FO 9 LYS cc_start: 0.9278 (tptt) cc_final: 0.8843 (tptp) REVERT: FO 13 ASP cc_start: 0.8606 (m-30) cc_final: 0.7849 (m-30) REVERT: FP 6 LYS cc_start: 0.9436 (ptmt) cc_final: 0.9019 (ptpp) REVERT: FP 21 ASN cc_start: 0.7713 (p0) cc_final: 0.7456 (p0) REVERT: FS 1 MET cc_start: 0.7485 (pmm) cc_final: 0.7020 (pmm) REVERT: FS 2 GLU cc_start: 0.8816 (tp30) cc_final: 0.8463 (tp30) REVERT: FS 4 VAL cc_start: 0.8977 (t) cc_final: 0.8622 (m) REVERT: FS 6 LYS cc_start: 0.9081 (ttmm) cc_final: 0.8848 (mmtm) REVERT: FS 9 LYS cc_start: 0.9173 (tptt) cc_final: 0.8645 (tptm) REVERT: FS 13 ASP cc_start: 0.8681 (m-30) cc_final: 0.7686 (m-30) REVERT: FT 6 LYS cc_start: 0.9441 (ptmt) cc_final: 0.9072 (ptpp) REVERT: FT 12 LYS cc_start: 0.9383 (tmmt) cc_final: 0.9144 (tmmt) REVERT: FV 2 GLU cc_start: 0.8547 (pm20) cc_final: 0.8344 (pm20) REVERT: FW 2 GLU cc_start: 0.8804 (tp30) cc_final: 0.8442 (tp30) REVERT: FW 9 LYS cc_start: 0.9224 (tptt) cc_final: 0.8895 (tptt) REVERT: FX 6 LYS cc_start: 0.9454 (ptmt) cc_final: 0.9212 (ptpp) REVERT: FY 1 MET cc_start: 0.7685 (tmm) cc_final: 0.7166 (tmm) REVERT: F0 2 GLU cc_start: 0.8957 (tp30) cc_final: 0.8390 (tp30) REVERT: F0 9 LYS cc_start: 0.9198 (tptt) cc_final: 0.8682 (tptp) REVERT: F0 13 ASP cc_start: 0.8588 (m-30) cc_final: 0.7337 (m-30) REVERT: F1 6 LYS cc_start: 0.9422 (ptmt) cc_final: 0.9113 (ptpp) REVERT: F2 10 PHE cc_start: 0.9174 (t80) cc_final: 0.8905 (t80) REVERT: F4 2 GLU cc_start: 0.8854 (tp30) cc_final: 0.8405 (tp30) REVERT: F4 6 LYS cc_start: 0.9146 (ttmm) cc_final: 0.8920 (mmtp) REVERT: F4 9 LYS cc_start: 0.9180 (tptt) cc_final: 0.8721 (tptm) REVERT: F4 13 ASP cc_start: 0.8546 (m-30) cc_final: 0.7751 (m-30) REVERT: F5 12 LYS cc_start: 0.9382 (tmmt) cc_final: 0.9176 (tmmt) REVERT: F8 9 LYS cc_start: 0.9272 (tptt) cc_final: 0.8928 (tptm) REVERT: F8 13 ASP cc_start: 0.8718 (m-30) cc_final: 0.8072 (m-30) REVERT: F9 6 LYS cc_start: 0.9429 (ptmt) cc_final: 0.8881 (ptpp) REVERT: F9 21 ASN cc_start: 0.7574 (p0) cc_final: 0.7160 (p0) REVERT: GA 9 LYS cc_start: 0.9458 (tppt) cc_final: 0.9251 (tppt) REVERT: GC 1 MET cc_start: 0.7449 (pmm) cc_final: 0.6897 (pmm) REVERT: GC 2 GLU cc_start: 0.8861 (tp30) cc_final: 0.8564 (tp30) REVERT: GC 13 ASP cc_start: 0.8604 (m-30) cc_final: 0.8301 (m-30) REVERT: GD 6 LYS cc_start: 0.9382 (ptmt) cc_final: 0.9016 (ptpp) REVERT: GG 2 GLU cc_start: 0.8748 (tp30) cc_final: 0.8346 (tp30) REVERT: GG 9 LYS cc_start: 0.9164 (tptt) cc_final: 0.8720 (tptt) REVERT: GH 6 LYS cc_start: 0.9486 (ptmt) cc_final: 0.9261 (ptpp) REVERT: GH 12 LYS cc_start: 0.9406 (tmmt) cc_final: 0.9097 (tmmt) REVERT: GH 21 ASN cc_start: 0.7568 (p0) cc_final: 0.7126 (p0) REVERT: GI 1 MET cc_start: 0.7264 (tmm) cc_final: 0.6546 (tmm) REVERT: GK 2 GLU cc_start: 0.8898 (tp30) cc_final: 0.8571 (tp30) REVERT: GK 13 ASP cc_start: 0.8649 (m-30) cc_final: 0.8312 (m-30) REVERT: GL 6 LYS cc_start: 0.9334 (ptmt) cc_final: 0.9050 (ptpp) REVERT: GL 21 ASN cc_start: 0.7429 (p0) cc_final: 0.7202 (p0) REVERT: GM 9 LYS cc_start: 0.9509 (tppt) cc_final: 0.9304 (tppt) REVERT: GN 2 GLU cc_start: 0.8469 (pm20) cc_final: 0.8236 (pm20) REVERT: GO 2 GLU cc_start: 0.8821 (tp30) cc_final: 0.8005 (tp30) REVERT: GO 6 LYS cc_start: 0.9037 (ttmm) cc_final: 0.8832 (mmtp) REVERT: GO 9 LYS cc_start: 0.9301 (tptt) cc_final: 0.8970 (tptp) REVERT: GO 13 ASP cc_start: 0.8482 (m-30) cc_final: 0.7603 (m-30) REVERT: GP 6 LYS cc_start: 0.9365 (ptmt) cc_final: 0.8946 (ptmt) REVERT: GP 21 ASN cc_start: 0.7329 (p0) cc_final: 0.7093 (p0) REVERT: GR 2 GLU cc_start: 0.8244 (pm20) cc_final: 0.7829 (pm20) REVERT: GR 12 LYS cc_start: 0.9254 (tttm) cc_final: 0.8658 (tppt) REVERT: GS 2 GLU cc_start: 0.8987 (tp30) cc_final: 0.8173 (tp30) REVERT: GU 1 MET cc_start: 0.6983 (tmm) cc_final: 0.6737 (tmm) REVERT: GW 1 MET cc_start: 0.7510 (pmm) cc_final: 0.7233 (pmm) REVERT: GW 2 GLU cc_start: 0.8843 (tp30) cc_final: 0.8629 (tp30) REVERT: GW 13 ASP cc_start: 0.8609 (m-30) cc_final: 0.8300 (m-30) REVERT: GY 17 LYS cc_start: 0.9334 (mttt) cc_final: 0.9124 (mttp) REVERT: G0 1 MET cc_start: 0.7606 (pmm) cc_final: 0.6917 (pmm) REVERT: G0 2 GLU cc_start: 0.8856 (tp30) cc_final: 0.8117 (tp30) REVERT: G0 13 ASP cc_start: 0.8665 (m-30) cc_final: 0.8320 (m-30) REVERT: G1 1 MET cc_start: 0.7502 (mtm) cc_final: 0.7120 (mtm) REVERT: G1 6 LYS cc_start: 0.9473 (ptmt) cc_final: 0.9074 (ptpp) REVERT: G1 12 LYS cc_start: 0.9344 (tmmt) cc_final: 0.9081 (tmmt) REVERT: G4 2 GLU cc_start: 0.8834 (tp30) cc_final: 0.8616 (tp30) REVERT: G5 6 LYS cc_start: 0.9409 (ptmt) cc_final: 0.9083 (ptpp) REVERT: G8 2 GLU cc_start: 0.8812 (tp30) cc_final: 0.8247 (tp30) REVERT: G8 9 LYS cc_start: 0.9182 (tptt) cc_final: 0.8726 (tptt) REVERT: G8 13 ASP cc_start: 0.8658 (m-30) cc_final: 0.7320 (m-30) REVERT: G9 12 LYS cc_start: 0.9466 (tmmt) cc_final: 0.9224 (tmmt) REVERT: HA 9 LYS cc_start: 0.9499 (tppt) cc_final: 0.9275 (tppt) REVERT: HC 2 GLU cc_start: 0.8842 (tp30) cc_final: 0.8585 (tp30) REVERT: HC 9 LYS cc_start: 0.9267 (tptt) cc_final: 0.8937 (tptm) REVERT: HD 9 LYS cc_start: 0.9272 (tptp) cc_final: 0.8714 (tptp) REVERT: HD 12 LYS cc_start: 0.9415 (tmmt) cc_final: 0.9017 (tmmt) REVERT: HG 2 GLU cc_start: 0.8938 (tp30) cc_final: 0.8580 (tp30) REVERT: HG 13 ASP cc_start: 0.8646 (m-30) cc_final: 0.8255 (m-30) REVERT: HI 1 MET cc_start: 0.7163 (tmm) cc_final: 0.6522 (tmm) REVERT: HK 2 GLU cc_start: 0.8873 (tp30) cc_final: 0.8435 (tp30) REVERT: HK 9 LYS cc_start: 0.9261 (tptt) cc_final: 0.8807 (tptp) REVERT: HK 13 ASP cc_start: 0.8703 (m-30) cc_final: 0.8085 (m-30) REVERT: HL 1 MET cc_start: 0.7378 (mtm) cc_final: 0.6878 (mtm) REVERT: HL 6 LYS cc_start: 0.9495 (ptmt) cc_final: 0.9154 (ptpp) REVERT: HM 1 MET cc_start: 0.7437 (tmm) cc_final: 0.7035 (tmm) REVERT: HM 17 LYS cc_start: 0.9354 (mttt) cc_final: 0.9125 (ttmm) REVERT: HN 1 MET cc_start: 0.7358 (ptt) cc_final: 0.7063 (ptp) REVERT: HN 2 GLU cc_start: 0.8336 (pm20) cc_final: 0.7870 (pm20) REVERT: HO 9 LYS cc_start: 0.9310 (tptt) cc_final: 0.8784 (tptm) REVERT: HO 13 ASP cc_start: 0.8537 (m-30) cc_final: 0.7744 (m-30) REVERT: HP 6 LYS cc_start: 0.9436 (ptmt) cc_final: 0.9094 (ptpp) REVERT: HS 2 GLU cc_start: 0.8838 (tp30) cc_final: 0.8329 (tp30) REVERT: HT 1 MET cc_start: 0.7493 (mtm) cc_final: 0.7151 (mtm) REVERT: HT 12 LYS cc_start: 0.9449 (tmmt) cc_final: 0.9107 (tmmt) REVERT: HW 2 GLU cc_start: 0.8807 (tp30) cc_final: 0.8300 (tp30) REVERT: HW 6 LYS cc_start: 0.9112 (ttmm) cc_final: 0.8906 (mmtm) REVERT: HW 9 LYS cc_start: 0.9214 (tptt) cc_final: 0.8850 (tptt) REVERT: HW 13 ASP cc_start: 0.8698 (m-30) cc_final: 0.8197 (m-30) REVERT: HX 6 LYS cc_start: 0.9488 (ptmt) cc_final: 0.9202 (ptpp) REVERT: HX 13 ASP cc_start: 0.8881 (t0) cc_final: 0.8494 (t0) REVERT: H0 2 GLU cc_start: 0.8913 (tp30) cc_final: 0.8520 (tp30) REVERT: H0 13 ASP cc_start: 0.8616 (m-30) cc_final: 0.8307 (m-30) REVERT: H1 21 ASN cc_start: 0.7460 (p0) cc_final: 0.7166 (p0) REVERT: H2 1 MET cc_start: 0.7116 (tmm) cc_final: 0.6782 (tmm) REVERT: H3 1 MET cc_start: 0.7551 (ptt) cc_final: 0.6832 (ptp) REVERT: H3 2 GLU cc_start: 0.8390 (pm20) cc_final: 0.7901 (pm20) REVERT: H4 2 GLU cc_start: 0.8975 (tp30) cc_final: 0.8393 (tp30) REVERT: H4 9 LYS cc_start: 0.9276 (tptt) cc_final: 0.8771 (tptt) REVERT: H4 13 ASP cc_start: 0.8665 (m-30) cc_final: 0.7956 (m-30) REVERT: H5 6 LYS cc_start: 0.9358 (ptmt) cc_final: 0.8948 (ptpp) REVERT: H5 12 LYS cc_start: 0.9387 (tmmt) cc_final: 0.9098 (tmmt) REVERT: H6 1 MET cc_start: 0.7134 (tmm) cc_final: 0.6572 (tmm) REVERT: H9 6 LYS cc_start: 0.9399 (ptmt) cc_final: 0.8990 (ptpp) REVERT: H9 21 ASN cc_start: 0.7219 (p0) cc_final: 0.6702 (p0) REVERT: IC 1 MET cc_start: 0.7461 (pmm) cc_final: 0.6849 (pmm) REVERT: IC 2 GLU cc_start: 0.8833 (tp30) cc_final: 0.8594 (tp30) REVERT: IC 9 LYS cc_start: 0.9182 (tptt) cc_final: 0.8805 (tptp) REVERT: IC 13 ASP cc_start: 0.8482 (m-30) cc_final: 0.7742 (m-30) REVERT: ID 1 MET cc_start: 0.7341 (mtm) cc_final: 0.6889 (mtm) REVERT: ID 6 LYS cc_start: 0.9482 (ptmt) cc_final: 0.9237 (ptpp) REVERT: IF 12 LYS cc_start: 0.9132 (tttm) cc_final: 0.8568 (tptp) REVERT: IG 2 GLU cc_start: 0.8834 (tp30) cc_final: 0.8534 (tp30) REVERT: IG 6 LYS cc_start: 0.9158 (ttmm) cc_final: 0.8916 (mmtm) REVERT: II 1 MET cc_start: 0.7191 (tmm) cc_final: 0.6508 (tmm) REVERT: II 13 ASP cc_start: 0.9003 (t70) cc_final: 0.8781 (t0) REVERT: IK 2 GLU cc_start: 0.8805 (tp30) cc_final: 0.8113 (tp30) REVERT: IK 9 LYS cc_start: 0.9234 (tptt) cc_final: 0.8862 (tptt) REVERT: IL 12 LYS cc_start: 0.9379 (tmmt) cc_final: 0.9170 (tmmt) REVERT: IL 21 ASN cc_start: 0.7450 (p0) cc_final: 0.7112 (p0) REVERT: IN 2 GLU cc_start: 0.8403 (pm20) cc_final: 0.8187 (pm20) REVERT: IN 15 LEU cc_start: 0.9595 (tp) cc_final: 0.9368 (tt) REVERT: IO 9 LYS cc_start: 0.9338 (tptt) cc_final: 0.9020 (tptm) REVERT: IO 13 ASP cc_start: 0.8736 (m-30) cc_final: 0.8331 (m-30) REVERT: IP 1 MET cc_start: 0.7766 (mtm) cc_final: 0.7397 (mtm) REVERT: IP 13 ASP cc_start: 0.8987 (t0) cc_final: 0.8725 (t0) REVERT: IQ 1 MET cc_start: 0.7351 (tmm) cc_final: 0.6983 (tmm) REVERT: IR 1 MET cc_start: 0.6884 (ptt) cc_final: 0.6649 (ptm) REVERT: IR 2 GLU cc_start: 0.8432 (pm20) cc_final: 0.7827 (pm20) REVERT: IS 1 MET cc_start: 0.7271 (pmm) cc_final: 0.6892 (pmm) REVERT: IS 9 LYS cc_start: 0.9277 (tptt) cc_final: 0.9070 (tptm) REVERT: IS 13 ASP cc_start: 0.8705 (m-30) cc_final: 0.8313 (m-30) REVERT: IT 6 LYS cc_start: 0.9382 (ptmt) cc_final: 0.9090 (ptmt) REVERT: IW 2 GLU cc_start: 0.8929 (tp30) cc_final: 0.8550 (tp30) REVERT: IX 3 PHE cc_start: 0.8567 (t80) cc_final: 0.8329 (t80) REVERT: IX 6 LYS cc_start: 0.9378 (ptmt) cc_final: 0.9160 (ptpp) REVERT: IX 12 LYS cc_start: 0.9499 (tmmt) cc_final: 0.9272 (tmmt) REVERT: IY 3 PHE cc_start: 0.8963 (m-80) cc_final: 0.8757 (m-10) REVERT: IZ 1 MET cc_start: 0.7379 (ptt) cc_final: 0.7154 (ptm) REVERT: IZ 2 GLU cc_start: 0.8405 (pm20) cc_final: 0.7591 (pm20) REVERT: I0 13 ASP cc_start: 0.8539 (m-30) cc_final: 0.8237 (m-30) REVERT: I4 9 LYS cc_start: 0.9290 (tptt) cc_final: 0.8939 (tptt) REVERT: I8 2 GLU cc_start: 0.8948 (tp30) cc_final: 0.8615 (tp30) REVERT: I8 15 LEU cc_start: 0.8086 (tt) cc_final: 0.7774 (tp) REVERT: I9 6 LYS cc_start: 0.9405 (ptmt) cc_final: 0.9025 (ptpp) REVERT: I9 21 ASN cc_start: 0.7109 (p0) cc_final: 0.6578 (p0) REVERT: JA 1 MET cc_start: 0.7255 (tmm) cc_final: 0.6864 (tmm) REVERT: JB 1 MET cc_start: 0.7153 (ptt) cc_final: 0.6909 (ptm) REVERT: JC 2 GLU cc_start: 0.9032 (tp30) cc_final: 0.8421 (tp30) REVERT: JC 9 LYS cc_start: 0.9124 (tptt) cc_final: 0.8739 (tptm) REVERT: JC 13 ASP cc_start: 0.8696 (m-30) cc_final: 0.7656 (m-30) REVERT: JD 12 LYS cc_start: 0.9397 (tmmt) cc_final: 0.9101 (tmmt) REVERT: JE 1 MET cc_start: 0.7204 (tmm) cc_final: 0.6656 (tmm) REVERT: JF 12 LYS cc_start: 0.9230 (tttm) cc_final: 0.8720 (tppt) REVERT: JG 2 GLU cc_start: 0.8811 (tp30) cc_final: 0.8278 (tp30) REVERT: JH 6 LYS cc_start: 0.9374 (ptmt) cc_final: 0.9074 (ptpp) REVERT: JH 12 LYS cc_start: 0.9402 (tmmt) cc_final: 0.9148 (ttpt) REVERT: JJ 1 MET cc_start: 0.7225 (ptt) cc_final: 0.6970 (ptm) REVERT: JJ 2 GLU cc_start: 0.8358 (pm20) cc_final: 0.7884 (pm20) REVERT: JJ 15 LEU cc_start: 0.9632 (tp) cc_final: 0.9417 (tp) REVERT: JK 9 LYS cc_start: 0.9262 (tptt) cc_final: 0.8743 (tptm) REVERT: JK 13 ASP cc_start: 0.8636 (m-30) cc_final: 0.7780 (m-30) REVERT: JL 21 ASN cc_start: 0.7555 (p0) cc_final: 0.7264 (p0) REVERT: JN 2 GLU cc_start: 0.8297 (pm20) cc_final: 0.7785 (pm20) REVERT: JN 11 PHE cc_start: 0.9084 (m-10) cc_final: 0.8780 (m-80) REVERT: JO 2 GLU cc_start: 0.8861 (tp30) cc_final: 0.8282 (tp30) REVERT: JO 6 LYS cc_start: 0.9230 (ttmm) cc_final: 0.9028 (mmtt) REVERT: JP 6 LYS cc_start: 0.9452 (ptmt) cc_final: 0.9227 (ptpp) REVERT: JP 12 LYS cc_start: 0.9439 (tmmt) cc_final: 0.9178 (tmmt) REVERT: JP 13 ASP cc_start: 0.9024 (t0) cc_final: 0.8640 (t0) REVERT: JS 9 LYS cc_start: 0.9252 (tptt) cc_final: 0.8878 (tptt) REVERT: JS 13 ASP cc_start: 0.8489 (m-30) cc_final: 0.7946 (m-30) REVERT: JW 9 LYS cc_start: 0.9205 (tptt) cc_final: 0.8763 (tptm) REVERT: JW 13 ASP cc_start: 0.8505 (m-30) cc_final: 0.7575 (m-30) REVERT: JX 1 MET cc_start: 0.7740 (mtm) cc_final: 0.7529 (mtm) REVERT: J0 17 LYS cc_start: 0.9231 (mtpp) cc_final: 0.9025 (mtpt) REVERT: J1 6 LYS cc_start: 0.9476 (ptmt) cc_final: 0.9234 (ptpp) REVERT: J4 2 GLU cc_start: 0.8916 (tp30) cc_final: 0.8702 (tp30) REVERT: J4 13 ASP cc_start: 0.8578 (m-30) cc_final: 0.8345 (m-30) REVERT: J6 1 MET cc_start: 0.7345 (tmm) cc_final: 0.7104 (ppp) REVERT: J8 1 MET cc_start: 0.7335 (pmm) cc_final: 0.7013 (pmm) REVERT: J8 2 GLU cc_start: 0.8869 (tp30) cc_final: 0.8329 (tp30) REVERT: J8 9 LYS cc_start: 0.9192 (tptt) cc_final: 0.8579 (tptp) REVERT: J8 13 ASP cc_start: 0.8554 (m-30) cc_final: 0.7523 (m-30) REVERT: J9 6 LYS cc_start: 0.9429 (ptmt) cc_final: 0.9129 (ptpp) REVERT: J9 21 ASN cc_start: 0.7725 (p0) cc_final: 0.7326 (p0) REVERT: KC 2 GLU cc_start: 0.8731 (tp30) cc_final: 0.8311 (tp30) REVERT: KC 4 VAL cc_start: 0.8963 (t) cc_final: 0.8663 (m) REVERT: KC 6 LYS cc_start: 0.9107 (ttmm) cc_final: 0.8846 (mmtm) REVERT: KC 9 LYS cc_start: 0.9178 (tptt) cc_final: 0.8835 (tptm) REVERT: KC 13 ASP cc_start: 0.8635 (m-30) cc_final: 0.7954 (m-30) REVERT: KD 21 ASN cc_start: 0.7351 (p0) cc_final: 0.6912 (p0) REVERT: KF 1 MET cc_start: 0.7473 (ptt) cc_final: 0.7198 (ptm) REVERT: KG 2 GLU cc_start: 0.8715 (tp30) cc_final: 0.8265 (tp30) REVERT: KH 1 MET cc_start: 0.7412 (mtm) cc_final: 0.6739 (mtm) REVERT: KH 12 LYS cc_start: 0.9447 (tmmt) cc_final: 0.9233 (tmmt) REVERT: KJ 1 MET cc_start: 0.7396 (ptt) cc_final: 0.6896 (ptt) REVERT: KJ 2 GLU cc_start: 0.8439 (pm20) cc_final: 0.8056 (pm20) REVERT: KK 9 LYS cc_start: 0.9196 (tptt) cc_final: 0.8865 (tptp) REVERT: KK 13 ASP cc_start: 0.8695 (m-30) cc_final: 0.7987 (m-30) REVERT: KO 2 GLU cc_start: 0.8818 (tp30) cc_final: 0.8460 (tp30) REVERT: KO 9 LYS cc_start: 0.9254 (tptt) cc_final: 0.8992 (tptm) REVERT: KO 13 ASP cc_start: 0.8617 (m-30) cc_final: 0.8134 (m-30) REVERT: KR 2 GLU cc_start: 0.8407 (pm20) cc_final: 0.8164 (pm20) REVERT: KS 2 GLU cc_start: 0.8928 (tp30) cc_final: 0.8589 (tp30) REVERT: KS 13 ASP cc_start: 0.8730 (m-30) cc_final: 0.8469 (m-30) REVERT: KV 13 ASP cc_start: 0.9044 (t0) cc_final: 0.8706 (t70) REVERT: KW 1 MET cc_start: 0.7333 (pmm) cc_final: 0.6421 (pmm) REVERT: KW 2 GLU cc_start: 0.8798 (tp30) cc_final: 0.8203 (tp30) REVERT: KW 13 ASP cc_start: 0.8605 (m-30) cc_final: 0.8208 (m-30) REVERT: KZ 12 LYS cc_start: 0.9176 (tttm) cc_final: 0.8533 (tptp) REVERT: K0 1 MET cc_start: 0.7489 (pmm) cc_final: 0.7127 (pmm) REVERT: K0 2 GLU cc_start: 0.8913 (tp30) cc_final: 0.8411 (tp30) REVERT: K0 13 ASP cc_start: 0.8714 (m-30) cc_final: 0.8479 (m-30) REVERT: K1 1 MET cc_start: 0.7599 (mtm) cc_final: 0.7195 (mtm) REVERT: K1 6 LYS cc_start: 0.9450 (ptmt) cc_final: 0.9045 (ptpp) REVERT: K3 1 MET cc_start: 0.7532 (ptt) cc_final: 0.7202 (ptt) REVERT: K3 2 GLU cc_start: 0.8386 (pm20) cc_final: 0.7991 (pm20) REVERT: K3 12 LYS cc_start: 0.9177 (tttm) cc_final: 0.8709 (tppt) REVERT: K4 2 GLU cc_start: 0.8998 (tp30) cc_final: 0.8617 (tp30) REVERT: K5 6 LYS cc_start: 0.9316 (ptmt) cc_final: 0.9043 (ptpp) REVERT: K8 9 LYS cc_start: 0.9308 (tptt) cc_final: 0.8779 (tptt) REVERT: K9 21 ASN cc_start: 0.7409 (p0) cc_final: 0.7006 (p0) REVERT: LB 2 GLU cc_start: 0.8346 (pm20) cc_final: 0.7818 (pm20) REVERT: LD 6 LYS cc_start: 0.9370 (ptmt) cc_final: 0.9071 (ptpp) REVERT: LF 2 GLU cc_start: 0.8395 (pm20) cc_final: 0.7924 (pm20) REVERT: LG 1 MET cc_start: 0.7318 (pmm) cc_final: 0.6700 (pmm) REVERT: LG 2 GLU cc_start: 0.8800 (tp30) cc_final: 0.8180 (tp30) REVERT: LG 13 ASP cc_start: 0.8692 (m-30) cc_final: 0.8402 (m-30) REVERT: LK 1 MET cc_start: 0.7446 (pmm) cc_final: 0.7244 (pmm) REVERT: LK 2 GLU cc_start: 0.8906 (tp30) cc_final: 0.8611 (tp30) REVERT: LK 13 ASP cc_start: 0.8718 (m-30) cc_final: 0.8500 (m-30) REVERT: LL 6 LYS cc_start: 0.9400 (ptmt) cc_final: 0.9165 (ptpp) REVERT: LL 12 LYS cc_start: 0.9380 (tmmt) cc_final: 0.9118 (tmmt) REVERT: LL 21 ASN cc_start: 0.7451 (p0) cc_final: 0.7137 (p0) REVERT: LM 9 LYS cc_start: 0.9510 (tppt) cc_final: 0.9305 (tppt) REVERT: LN 11 PHE cc_start: 0.9089 (m-10) cc_final: 0.8883 (m-80) REVERT: LO 1 MET cc_start: 0.7258 (pmm) cc_final: 0.6310 (pmm) REVERT: LO 2 GLU cc_start: 0.8863 (tp30) cc_final: 0.8499 (tp30) REVERT: LO 9 LYS cc_start: 0.9290 (tptt) cc_final: 0.9044 (tptm) REVERT: LP 6 LYS cc_start: 0.9412 (ptmt) cc_final: 0.9168 (ptpp) REVERT: LS 1 MET cc_start: 0.7307 (pmm) cc_final: 0.7065 (pmm) REVERT: LS 2 GLU cc_start: 0.8822 (tp30) cc_final: 0.8168 (tp30) REVERT: LS 6 LYS cc_start: 0.9064 (ttmm) cc_final: 0.8809 (mmtm) REVERT: LS 9 LYS cc_start: 0.9248 (tptt) cc_final: 0.9019 (tptm) REVERT: LS 13 ASP cc_start: 0.8609 (m-30) cc_final: 0.8164 (m-30) REVERT: LT 1 MET cc_start: 0.7804 (mtm) cc_final: 0.7432 (mtm) REVERT: LT 12 LYS cc_start: 0.9470 (tmmt) cc_final: 0.9248 (tmmt) REVERT: LU 1 MET cc_start: 0.7319 (tmm) cc_final: 0.6728 (tmm) REVERT: LV 2 GLU cc_start: 0.8323 (pm20) cc_final: 0.7501 (pm20) REVERT: LW 9 LYS cc_start: 0.9267 (tptt) cc_final: 0.8974 (tptm) REVERT: LX 6 LYS cc_start: 0.9465 (ptmt) cc_final: 0.9011 (ptmt) REVERT: LX 12 LYS cc_start: 0.9426 (tmmt) cc_final: 0.9165 (tmmt) REVERT: LY 9 LYS cc_start: 0.9493 (tppt) cc_final: 0.9288 (tppt) REVERT: LZ 2 GLU cc_start: 0.8296 (pm20) cc_final: 0.7874 (pm20) REVERT: L0 2 GLU cc_start: 0.8938 (tp30) cc_final: 0.8267 (tp30) REVERT: L1 6 LYS cc_start: 0.9445 (ptmt) cc_final: 0.8994 (ptpp) REVERT: L2 1 MET cc_start: 0.7387 (tmm) cc_final: 0.7129 (ppp) REVERT: L4 9 LYS cc_start: 0.9280 (tptt) cc_final: 0.8846 (tptp) REVERT: L4 13 ASP cc_start: 0.8647 (m-30) cc_final: 0.7914 (m-30) REVERT: L5 1 MET cc_start: 0.7350 (mtm) cc_final: 0.7130 (mtm) REVERT: L5 6 LYS cc_start: 0.9371 (ptmt) cc_final: 0.9154 (ptpp) REVERT: L5 12 LYS cc_start: 0.9459 (tmmt) cc_final: 0.9013 (tmmt) REVERT: L6 13 ASP cc_start: 0.9084 (t70) cc_final: 0.8861 (t0) REVERT: L9 13 ASP cc_start: 0.8962 (t0) cc_final: 0.8596 (t0) REVERT: MC 1 MET cc_start: 0.7145 (pmm) cc_final: 0.6940 (pmm) REVERT: MC 9 LYS cc_start: 0.9275 (tptt) cc_final: 0.8827 (tptm) REVERT: MC 13 ASP cc_start: 0.8716 (m-30) cc_final: 0.7920 (m-30) REVERT: MC 18 PHE cc_start: 0.8875 (t80) cc_final: 0.8580 (t80) REVERT: MD 1 MET cc_start: 0.7561 (mtm) cc_final: 0.7311 (mtm) REVERT: MD 6 LYS cc_start: 0.9421 (ptmt) cc_final: 0.8933 (ptpp) REVERT: MD 12 LYS cc_start: 0.9437 (tmmt) cc_final: 0.9019 (tmmt) REVERT: MF 2 GLU cc_start: 0.8365 (pm20) cc_final: 0.8110 (pm20) REVERT: MG 2 GLU cc_start: 0.8931 (tp30) cc_final: 0.8713 (tp30) REVERT: MH 6 LYS cc_start: 0.9385 (ptmt) cc_final: 0.9025 (ptpp) REVERT: MH 13 ASP cc_start: 0.8992 (t0) cc_final: 0.8608 (t0) REVERT: MI 1 MET cc_start: 0.7324 (tmm) cc_final: 0.7109 (tmm) REVERT: MJ 2 GLU cc_start: 0.8565 (pm20) cc_final: 0.8340 (pm20) REVERT: MJ 13 ASP cc_start: 0.9081 (t0) cc_final: 0.8793 (t0) REVERT: MK 1 MET cc_start: 0.7110 (pmm) cc_final: 0.6893 (pmm) REVERT: MK 2 GLU cc_start: 0.8873 (tp30) cc_final: 0.8554 (tp30) REVERT: ML 12 LYS cc_start: 0.9426 (tmmt) cc_final: 0.9107 (tmmt) REVERT: ML 21 ASN cc_start: 0.7387 (p0) cc_final: 0.7041 (p0) REVERT: MN 1 MET cc_start: 0.7608 (ptt) cc_final: 0.7217 (ptm) REVERT: MO 2 GLU cc_start: 0.8845 (tp30) cc_final: 0.8612 (tp30) REVERT: MO 9 LYS cc_start: 0.9218 (tptt) cc_final: 0.8868 (tptp) REVERT: MO 13 ASP cc_start: 0.8717 (m-30) cc_final: 0.8114 (m-30) REVERT: MP 12 LYS cc_start: 0.9451 (tmmt) cc_final: 0.9216 (tmmt) REVERT: MT 6 LYS cc_start: 0.9288 (ptmt) cc_final: 0.8915 (ptmt) REVERT: MT 21 ASN cc_start: 0.7426 (p0) cc_final: 0.7007 (p0) REVERT: MW 2 GLU cc_start: 0.8869 (tp30) cc_final: 0.8585 (tp30) REVERT: MW 9 LYS cc_start: 0.9290 (tptt) cc_final: 0.9035 (tptm) REVERT: MW 13 ASP cc_start: 0.8563 (m-30) cc_final: 0.8152 (m-30) REVERT: MX 12 LYS cc_start: 0.9388 (tmmt) cc_final: 0.9062 (tmmt) REVERT: M0 2 GLU cc_start: 0.8945 (tp30) cc_final: 0.8579 (tp30) REVERT: M0 6 LYS cc_start: 0.9188 (ttmm) cc_final: 0.8951 (mmtm) REVERT: M0 9 LYS cc_start: 0.9191 (tptt) cc_final: 0.8878 (tptp) REVERT: M0 13 ASP cc_start: 0.8679 (m-30) cc_final: 0.8144 (m-30) REVERT: M1 6 LYS cc_start: 0.9447 (ptmt) cc_final: 0.9106 (ptpp) REVERT: M3 2 GLU cc_start: 0.8421 (pm20) cc_final: 0.8140 (pm20) REVERT: M4 2 GLU cc_start: 0.8865 (tp30) cc_final: 0.8327 (tp30) REVERT: M4 9 LYS cc_start: 0.9298 (tptt) cc_final: 0.8929 (tptt) REVERT: M5 21 ASN cc_start: 0.7593 (p0) cc_final: 0.7272 (p0) REVERT: M6 1 MET cc_start: 0.7314 (tmm) cc_final: 0.7069 (tmm) REVERT: M8 9 LYS cc_start: 0.9241 (tptt) cc_final: 0.8567 (tptp) REVERT: M8 13 ASP cc_start: 0.8722 (m-30) cc_final: 0.7422 (m-30) REVERT: M9 21 ASN cc_start: 0.7241 (p0) cc_final: 0.6723 (p0) REVERT: NC 2 GLU cc_start: 0.8780 (tp30) cc_final: 0.8074 (tp30) REVERT: NC 6 LYS cc_start: 0.9097 (ttmm) cc_final: 0.8832 (mmtp) REVERT: NC 9 LYS cc_start: 0.9306 (tptt) cc_final: 0.9042 (tptm) REVERT: NC 13 ASP cc_start: 0.8634 (m-30) cc_final: 0.8027 (m-30) REVERT: ND 6 LYS cc_start: 0.9472 (ptmt) cc_final: 0.9168 (ptpp) REVERT: ND 21 ASN cc_start: 0.7381 (p0) cc_final: 0.6929 (p0) REVERT: NF 2 GLU cc_start: 0.8401 (pm20) cc_final: 0.8149 (pm20) REVERT: NG 2 GLU cc_start: 0.8960 (tp30) cc_final: 0.8494 (tp30) REVERT: NH 3 PHE cc_start: 0.8634 (t80) cc_final: 0.8420 (t80) REVERT: NH 6 LYS cc_start: 0.9284 (ptmt) cc_final: 0.9062 (ptpp) REVERT: NH 21 ASN cc_start: 0.7527 (p0) cc_final: 0.7161 (p0) REVERT: NO 2 GLU cc_start: 0.8850 (tp30) cc_final: 0.8392 (tp30) REVERT: NO 9 LYS cc_start: 0.9247 (tptt) cc_final: 0.8878 (tptp) REVERT: NO 13 ASP cc_start: 0.8597 (m-30) cc_final: 0.7961 (m-30) REVERT: NO 18 PHE cc_start: 0.8906 (t80) cc_final: 0.8599 (t80) REVERT: NP 12 LYS cc_start: 0.9353 (tmmt) cc_final: 0.9148 (tmmt) REVERT: NS 2 GLU cc_start: 0.8890 (tp30) cc_final: 0.8139 (tp30) REVERT: NS 6 LYS cc_start: 0.9006 (ttmm) cc_final: 0.8726 (mmtp) REVERT: NT 6 LYS cc_start: 0.9420 (ptmt) cc_final: 0.9052 (ptpp) REVERT: NU 1 MET cc_start: 0.7086 (tmm) cc_final: 0.6470 (tmm) REVERT: NW 2 GLU cc_start: 0.8979 (tp30) cc_final: 0.8179 (tp30) REVERT: NW 6 LYS cc_start: 0.9108 (ttmm) cc_final: 0.8825 (mmtp) REVERT: NX 1 MET cc_start: 0.7679 (mtm) cc_final: 0.7370 (mtm) REVERT: NZ 1 MET cc_start: 0.7338 (ptt) cc_final: 0.7115 (ptt) REVERT: N0 1 MET cc_start: 0.7329 (pmm) cc_final: 0.6398 (pmm) REVERT: N0 9 LYS cc_start: 0.9228 (tptt) cc_final: 0.8796 (tptm) REVERT: N0 13 ASP cc_start: 0.8582 (m-30) cc_final: 0.7835 (m-30) REVERT: N1 6 LYS cc_start: 0.9381 (ptmt) cc_final: 0.9106 (ptpp) REVERT: N1 12 LYS cc_start: 0.9382 (tmmt) cc_final: 0.9172 (ttpt) REVERT: N3 1 MET cc_start: 0.7012 (ptt) cc_final: 0.6757 (ptm) REVERT: N3 2 GLU cc_start: 0.8477 (pm20) cc_final: 0.8266 (pm20) REVERT: N4 9 LYS cc_start: 0.9280 (tptt) cc_final: 0.8999 (tptt) REVERT: N5 6 LYS cc_start: 0.9393 (ptmt) cc_final: 0.9171 (ptpp) REVERT: N8 2 GLU cc_start: 0.8927 (tp30) cc_final: 0.8275 (tp30) REVERT: N8 9 LYS cc_start: 0.9177 (tptt) cc_final: 0.8810 (tptm) REVERT: N8 13 ASP cc_start: 0.8571 (m-30) cc_final: 0.7978 (m-30) REVERT: N8 18 PHE cc_start: 0.8841 (t80) cc_final: 0.8435 (t80) REVERT: N9 13 ASP cc_start: 0.8953 (t0) cc_final: 0.8633 (t0) REVERT: N9 21 ASN cc_start: 0.7428 (p0) cc_final: 0.6927 (p0) REVERT: OB 1 MET cc_start: 0.7324 (ptt) cc_final: 0.7085 (ptm) REVERT: OC 2 GLU cc_start: 0.8937 (tp30) cc_final: 0.8361 (tp30) REVERT: OD 6 LYS cc_start: 0.9390 (ptmt) cc_final: 0.9132 (ptpp) REVERT: OE 9 LYS cc_start: 0.9524 (tppt) cc_final: 0.9115 (tppt) REVERT: OF 2 GLU cc_start: 0.8637 (pm20) cc_final: 0.8390 (pm20) REVERT: OF 12 LYS cc_start: 0.9208 (tttm) cc_final: 0.8636 (tptp) REVERT: OG 9 LYS cc_start: 0.9189 (tptt) cc_final: 0.8879 (tptt) REVERT: OH 6 LYS cc_start: 0.9502 (ptmt) cc_final: 0.9088 (ptmt) REVERT: OH 21 ASN cc_start: 0.7296 (p0) cc_final: 0.6756 (p0) REVERT: OJ 2 GLU cc_start: 0.8519 (pm20) cc_final: 0.8146 (pm20) REVERT: OK 2 GLU cc_start: 0.8923 (tp30) cc_final: 0.7895 (tp30) REVERT: OL 6 LYS cc_start: 0.9518 (ptmt) cc_final: 0.9287 (ptpp) REVERT: OL 12 LYS cc_start: 0.9458 (tmmt) cc_final: 0.9170 (tmmt) REVERT: OM 10 PHE cc_start: 0.9242 (t80) cc_final: 0.9025 (t80) REVERT: OM 18 PHE cc_start: 0.8820 (t80) cc_final: 0.8521 (t80) REVERT: OP 6 LYS cc_start: 0.9376 (ptmt) cc_final: 0.8993 (ptpp) REVERT: OR 2 GLU cc_start: 0.8341 (pm20) cc_final: 0.8107 (pm20) REVERT: OS 9 LYS cc_start: 0.9361 (tptt) cc_final: 0.8982 (tptt) REVERT: OT 1 MET cc_start: 0.7458 (mtm) cc_final: 0.6962 (mtm) REVERT: OT 6 LYS cc_start: 0.9494 (ptmt) cc_final: 0.9293 (ptpp) REVERT: OU 10 PHE cc_start: 0.9210 (t80) cc_final: 0.8990 (t80) REVERT: OV 15 LEU cc_start: 0.9659 (tp) cc_final: 0.9458 (tp) REVERT: OW 2 GLU cc_start: 0.8793 (tp30) cc_final: 0.8253 (tp30) REVERT: OW 9 LYS cc_start: 0.9329 (tptt) cc_final: 0.9115 (tptm) REVERT: OX 6 LYS cc_start: 0.9368 (ptmt) cc_final: 0.9067 (ptpp) REVERT: OX 21 ASN cc_start: 0.7362 (p0) cc_final: 0.7097 (p0) REVERT: OZ 2 GLU cc_start: 0.8303 (pm20) cc_final: 0.8087 (pm20) REVERT: O0 2 GLU cc_start: 0.8807 (tp30) cc_final: 0.8471 (tp30) REVERT: O0 13 ASP cc_start: 0.8597 (m-30) cc_final: 0.8216 (m-30) REVERT: O1 6 LYS cc_start: 0.9466 (ptmt) cc_final: 0.9035 (ptmt) REVERT: O4 2 GLU cc_start: 0.8885 (tp30) cc_final: 0.8535 (tp30) REVERT: O4 17 LYS cc_start: 0.9216 (mtpp) cc_final: 0.8935 (mtpp) REVERT: O5 12 LYS cc_start: 0.9367 (tmmt) cc_final: 0.9138 (tmmt) REVERT: O7 11 PHE cc_start: 0.9036 (m-10) cc_final: 0.8781 (m-80) REVERT: O8 2 GLU cc_start: 0.8850 (tp30) cc_final: 0.7873 (tp30) REVERT: O8 6 LYS cc_start: 0.9120 (ttmm) cc_final: 0.8907 (mmtm) REVERT: O8 9 LYS cc_start: 0.9242 (tptt) cc_final: 0.8742 (tptt) REVERT: O8 13 ASP cc_start: 0.8644 (m-30) cc_final: 0.7880 (m-30) REVERT: O9 6 LYS cc_start: 0.9401 (ptmt) cc_final: 0.8912 (ptmt) REVERT: PC 2 GLU cc_start: 0.8870 (tp30) cc_final: 0.7896 (tp30) REVERT: PC 6 LYS cc_start: 0.9157 (ttmm) cc_final: 0.8905 (mmtp) REVERT: PC 9 LYS cc_start: 0.9195 (tptt) cc_final: 0.8915 (tptm) REVERT: PC 13 ASP cc_start: 0.8593 (m-30) cc_final: 0.8178 (m-30) REVERT: PD 6 LYS cc_start: 0.9456 (ptmt) cc_final: 0.9232 (ptpp) REVERT: PE 3 PHE cc_start: 0.8873 (m-80) cc_final: 0.8523 (m-10) REVERT: PG 2 GLU cc_start: 0.8841 (tp30) cc_final: 0.8338 (tp30) REVERT: PH 21 ASN cc_start: 0.7444 (p0) cc_final: 0.7201 (p0) REVERT: PI 1 MET cc_start: 0.7406 (tmm) cc_final: 0.7194 (tmm) REVERT: PI 3 PHE cc_start: 0.8909 (m-80) cc_final: 0.8309 (m-10) REVERT: PJ 11 PHE cc_start: 0.8868 (m-10) cc_final: 0.8617 (m-80) REVERT: PK 2 GLU cc_start: 0.8982 (tp30) cc_final: 0.8567 (tp30) REVERT: PK 13 ASP cc_start: 0.8769 (m-30) cc_final: 0.8395 (m-30) REVERT: PL 6 LYS cc_start: 0.9452 (ptmt) cc_final: 0.9179 (ptpp) REVERT: PL 21 ASN cc_start: 0.7182 (p0) cc_final: 0.6747 (p0) REVERT: PM 17 LYS cc_start: 0.9299 (mttt) cc_final: 0.9068 (ttmm) REVERT: PO 2 GLU cc_start: 0.8970 (tp30) cc_final: 0.8166 (tp30) REVERT: PO 6 LYS cc_start: 0.9152 (ttmm) cc_final: 0.8938 (mmtm) REVERT: PP 6 LYS cc_start: 0.9419 (ptmt) cc_final: 0.9090 (ptpp) REVERT: PS 2 GLU cc_start: 0.9054 (tp30) cc_final: 0.8683 (tp30) REVERT: PT 12 LYS cc_start: 0.9476 (tmmt) cc_final: 0.9175 (tmmt) REVERT: PT 21 ASN cc_start: 0.7150 (p0) cc_final: 0.6923 (p0) REVERT: PV 12 LYS cc_start: 0.9130 (tttm) cc_final: 0.8609 (tppt) REVERT: PV 13 ASP cc_start: 0.9150 (t0) cc_final: 0.8921 (t0) REVERT: PW 9 LYS cc_start: 0.9253 (tptt) cc_final: 0.8903 (tptm) REVERT: PW 13 ASP cc_start: 0.8599 (m-30) cc_final: 0.7934 (m-30) REVERT: PX 6 LYS cc_start: 0.9379 (ptmt) cc_final: 0.8930 (ptpp) REVERT: P0 2 GLU cc_start: 0.8899 (tp30) cc_final: 0.8160 (tp30) REVERT: P0 9 LYS cc_start: 0.9295 (tptt) cc_final: 0.8999 (tptm) REVERT: P0 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.7918 (m-30) REVERT: P1 21 ASN cc_start: 0.7262 (p0) cc_final: 0.6797 (p0) REVERT: P3 2 GLU cc_start: 0.8299 (pm20) cc_final: 0.7931 (pm20) REVERT: P4 2 GLU cc_start: 0.8988 (tp30) cc_final: 0.8177 (tp30) REVERT: P4 18 PHE cc_start: 0.9008 (t80) cc_final: 0.8736 (t80) REVERT: P5 6 LYS cc_start: 0.9350 (ptmt) cc_final: 0.9089 (ptpp) REVERT: P5 12 LYS cc_start: 0.9449 (tmmt) cc_final: 0.9183 (tmmt) REVERT: P6 1 MET cc_start: 0.7137 (tmm) cc_final: 0.6762 (tmm) REVERT: P8 2 GLU cc_start: 0.8921 (tp30) cc_final: 0.8587 (tp30) REVERT: P8 9 LYS cc_start: 0.9179 (tptt) cc_final: 0.8939 (tptm) REVERT: P8 13 ASP cc_start: 0.8681 (m-30) cc_final: 0.8208 (m-30) REVERT: P9 6 LYS cc_start: 0.9428 (ptmt) cc_final: 0.9189 (ptpp) REVERT: QC 2 GLU cc_start: 0.9063 (tp30) cc_final: 0.8287 (tp30) REVERT: QC 9 LYS cc_start: 0.9284 (tptt) cc_final: 0.8963 (tptm) REVERT: QC 13 ASP cc_start: 0.8541 (m-30) cc_final: 0.7952 (m-30) REVERT: QD 6 LYS cc_start: 0.9437 (ptmt) cc_final: 0.8966 (ptmt) REVERT: QD 12 LYS cc_start: 0.9462 (tmmt) cc_final: 0.9213 (tmmt) REVERT: QE 1 MET cc_start: 0.7567 (tmm) cc_final: 0.7324 (tmm) REVERT: QG 2 GLU cc_start: 0.8942 (tp30) cc_final: 0.8431 (tp30) REVERT: QH 6 LYS cc_start: 0.9451 (ptmt) cc_final: 0.9083 (ptpp) REVERT: QH 12 LYS cc_start: 0.9452 (tmmt) cc_final: 0.9210 (ttpt) REVERT: QK 2 GLU cc_start: 0.8963 (tp30) cc_final: 0.8009 (tp30) REVERT: QK 6 LYS cc_start: 0.9125 (ttmm) cc_final: 0.8899 (mmtp) REVERT: QK 9 LYS cc_start: 0.9329 (tptt) cc_final: 0.9035 (tptt) REVERT: QL 21 ASN cc_start: 0.7131 (p0) cc_final: 0.6746 (p0) REVERT: QO 2 GLU cc_start: 0.9065 (tp30) cc_final: 0.8334 (tp30) REVERT: QO 9 LYS cc_start: 0.9260 (tptt) cc_final: 0.8786 (tptt) REVERT: QO 13 ASP cc_start: 0.8512 (m-30) cc_final: 0.7815 (m-30) REVERT: QQ 1 MET cc_start: 0.7480 (tmm) cc_final: 0.7195 (tmm) REVERT: QS 2 GLU cc_start: 0.8786 (tp30) cc_final: 0.8112 (tp30) REVERT: QS 9 LYS cc_start: 0.9250 (tptt) cc_final: 0.9020 (tptm) REVERT: QS 13 ASP cc_start: 0.8566 (m-30) cc_final: 0.8074 (m-30) REVERT: QT 21 ASN cc_start: 0.7359 (p0) cc_final: 0.7116 (p0) REVERT: QW 2 GLU cc_start: 0.8927 (tp30) cc_final: 0.8544 (tp30) REVERT: QW 9 LYS cc_start: 0.9220 (tptt) cc_final: 0.8819 (tptm) REVERT: QW 13 ASP cc_start: 0.8642 (m-30) cc_final: 0.7961 (m-30) REVERT: QX 1 MET cc_start: 0.7647 (mtm) cc_final: 0.7354 (mtm) REVERT: QX 6 LYS cc_start: 0.9379 (ptmt) cc_final: 0.8857 (ptpp) REVERT: QX 12 LYS cc_start: 0.9420 (tmmt) cc_final: 0.9207 (tmmt) REVERT: QX 21 ASN cc_start: 0.7530 (p0) cc_final: 0.7111 (p0) REVERT: QY 17 LYS cc_start: 0.9239 (mttt) cc_final: 0.8969 (ttmm) REVERT: QY 18 PHE cc_start: 0.8848 (t80) cc_final: 0.8630 (t80) REVERT: QZ 1 MET cc_start: 0.7264 (ptt) cc_final: 0.6975 (ptt) REVERT: QZ 2 GLU cc_start: 0.8361 (pm20) cc_final: 0.7999 (pm20) REVERT: Q0 2 GLU cc_start: 0.9077 (tp30) cc_final: 0.8580 (tp30) REVERT: Q0 9 LYS cc_start: 0.9241 (tptt) cc_final: 0.8994 (tptm) REVERT: Q1 6 LYS cc_start: 0.9379 (ptmt) cc_final: 0.9101 (ptpp) REVERT: Q1 13 ASP cc_start: 0.9077 (t0) cc_final: 0.8824 (t0) REVERT: Q1 21 ASN cc_start: 0.7544 (p0) cc_final: 0.7119 (p0) REVERT: Q4 2 GLU cc_start: 0.9005 (tp30) cc_final: 0.8327 (tp30) REVERT: Q4 9 LYS cc_start: 0.9255 (tptt) cc_final: 0.8903 (tptt) REVERT: Q7 1 MET cc_start: 0.7282 (ptt) cc_final: 0.6863 (ptm) REVERT: Q8 2 GLU cc_start: 0.8791 (tp30) cc_final: 0.7630 (tp30) REVERT: Q8 6 LYS cc_start: 0.9109 (ttmm) cc_final: 0.8906 (mmtp) REVERT: Q8 9 LYS cc_start: 0.9272 (tptt) cc_final: 0.8947 (tptt) REVERT: Q8 13 ASP cc_start: 0.8656 (m-30) cc_final: 0.8132 (m-30) REVERT: RB 13 ASP cc_start: 0.9177 (t0) cc_final: 0.8850 (t0) REVERT: RC 2 GLU cc_start: 0.8974 (tp30) cc_final: 0.8049 (tp30) REVERT: RC 9 LYS cc_start: 0.9275 (tptt) cc_final: 0.8883 (tptp) REVERT: RC 13 ASP cc_start: 0.8661 (m-30) cc_final: 0.7726 (m-30) REVERT: RD 6 LYS cc_start: 0.9354 (ptmt) cc_final: 0.9074 (ptpp) REVERT: RD 12 LYS cc_start: 0.9392 (tmmt) cc_final: 0.9063 (tmmt) REVERT: RD 21 ASN cc_start: 0.7414 (p0) cc_final: 0.7043 (p0) REVERT: RE 1 MET cc_start: 0.7136 (tmm) cc_final: 0.6890 (tmm) REVERT: RG 2 GLU cc_start: 0.8961 (tp30) cc_final: 0.8599 (tp30) REVERT: RG 9 LYS cc_start: 0.9353 (tptt) cc_final: 0.9119 (tptm) REVERT: RG 13 ASP cc_start: 0.8613 (m-30) cc_final: 0.8214 (m-30) REVERT: RI 1 MET cc_start: 0.7393 (tmm) cc_final: 0.6811 (tmm) REVERT: RJ 1 MET cc_start: 0.7274 (ptt) cc_final: 0.6863 (ptt) REVERT: RJ 2 GLU cc_start: 0.8371 (pm20) cc_final: 0.7760 (pm20) REVERT: RJ 12 LYS cc_start: 0.9071 (tttm) cc_final: 0.8585 (tptp) REVERT: RK 2 GLU cc_start: 0.9135 (tp30) cc_final: 0.8365 (tp30) REVERT: RO 2 GLU cc_start: 0.8934 (tp30) cc_final: 0.7999 (tp30) REVERT: RP 6 LYS cc_start: 0.9470 (ptmt) cc_final: 0.9170 (ptpp) REVERT: RP 21 ASN cc_start: 0.7709 (p0) cc_final: 0.7404 (p0) REVERT: RQ 1 MET cc_start: 0.7234 (tmm) cc_final: 0.6810 (tmm) REVERT: RR 2 GLU cc_start: 0.8251 (pm20) cc_final: 0.7480 (pm20) REVERT: RS 2 GLU cc_start: 0.9057 (tp30) cc_final: 0.8171 (tp30) REVERT: RS 9 LYS cc_start: 0.9296 (tptt) cc_final: 0.8743 (tptm) REVERT: RS 13 ASP cc_start: 0.8646 (m-30) cc_final: 0.7724 (m-30) REVERT: RT 6 LYS cc_start: 0.9446 (ptmt) cc_final: 0.9091 (ptpp) REVERT: RW 2 GLU cc_start: 0.8882 (tp30) cc_final: 0.8614 (tp30) REVERT: RW 9 LYS cc_start: 0.9335 (tptt) cc_final: 0.8941 (tptm) REVERT: RW 13 ASP cc_start: 0.8550 (m-30) cc_final: 0.7849 (m-30) REVERT: RX 1 MET cc_start: 0.7249 (mtm) cc_final: 0.6757 (mtm) REVERT: RX 6 LYS cc_start: 0.9472 (ptmt) cc_final: 0.9189 (ptpp) REVERT: RX 21 ASN cc_start: 0.7226 (p0) cc_final: 0.6949 (p0) REVERT: RY 1 MET cc_start: 0.7339 (tmm) cc_final: 0.6845 (tmm) REVERT: RZ 1 MET cc_start: 0.7352 (ptt) cc_final: 0.7109 (ptm) REVERT: R0 2 GLU cc_start: 0.8975 (tp30) cc_final: 0.7962 (tp30) REVERT: R1 6 LYS cc_start: 0.9303 (ptmt) cc_final: 0.9002 (ptpp) REVERT: R1 12 LYS cc_start: 0.9364 (tmmt) cc_final: 0.9071 (tmmt) REVERT: R3 2 GLU cc_start: 0.8570 (pm20) cc_final: 0.8127 (pm20) REVERT: R4 2 GLU cc_start: 0.8950 (tp30) cc_final: 0.8565 (tp30) REVERT: R5 6 LYS cc_start: 0.9390 (ptmt) cc_final: 0.9179 (ptmt) REVERT: R6 13 ASP cc_start: 0.9015 (t70) cc_final: 0.8810 (t0) REVERT: R8 2 GLU cc_start: 0.8926 (tp30) cc_final: 0.8265 (tp30) REVERT: R8 18 PHE cc_start: 0.8986 (t80) cc_final: 0.8509 (t80) REVERT: R9 12 LYS cc_start: 0.9442 (tmmt) cc_final: 0.9198 (tmmt) REVERT: SC 2 GLU cc_start: 0.8900 (tp30) cc_final: 0.7722 (tp30) REVERT: SC 6 LYS cc_start: 0.9000 (ttmm) cc_final: 0.8670 (mmtp) REVERT: SC 9 LYS cc_start: 0.9251 (tptt) cc_final: 0.8946 (tptm) REVERT: SC 13 ASP cc_start: 0.8616 (m-30) cc_final: 0.8219 (m-30) REVERT: SD 6 LYS cc_start: 0.9427 (ptmt) cc_final: 0.9056 (ptpp) REVERT: SG 2 GLU cc_start: 0.8928 (tp30) cc_final: 0.8705 (tp30) REVERT: SH 1 MET cc_start: 0.7776 (mtm) cc_final: 0.7558 (mtm) REVERT: SI 9 LYS cc_start: 0.9510 (tppt) cc_final: 0.9259 (tppt) REVERT: SJ 1 MET cc_start: 0.7836 (ptt) cc_final: 0.7493 (ptt) REVERT: SK 2 GLU cc_start: 0.8955 (tp30) cc_final: 0.8108 (tp30) REVERT: SK 13 ASP cc_start: 0.8507 (m-30) cc_final: 0.8287 (m-30) REVERT: SL 6 LYS cc_start: 0.9361 (ptmt) cc_final: 0.9072 (ptpp) REVERT: SL 12 LYS cc_start: 0.9404 (tmmt) cc_final: 0.9161 (tmmt) REVERT: SL 21 ASN cc_start: 0.7215 (p0) cc_final: 0.6837 (p0) REVERT: SO 2 GLU cc_start: 0.8993 (tp30) cc_final: 0.8467 (tp30) REVERT: SS 2 GLU cc_start: 0.8825 (tp30) cc_final: 0.7913 (tp30) REVERT: ST 1 MET cc_start: 0.7717 (mtm) cc_final: 0.7471 (mtm) REVERT: ST 6 LYS cc_start: 0.9447 (ptmt) cc_final: 0.9211 (ptpp) REVERT: ST 12 LYS cc_start: 0.9365 (tmmt) cc_final: 0.9090 (tmmt) REVERT: ST 21 ASN cc_start: 0.7444 (p0) cc_final: 0.7021 (p0) REVERT: SU 3 PHE cc_start: 0.8838 (m-80) cc_final: 0.8438 (m-80) REVERT: SW 2 GLU cc_start: 0.8900 (tp30) cc_final: 0.8010 (tp30) REVERT: SX 6 LYS cc_start: 0.9384 (ptmt) cc_final: 0.9089 (ptpp) REVERT: SZ 13 ASP cc_start: 0.9009 (t0) cc_final: 0.8698 (t0) REVERT: S0 2 GLU cc_start: 0.9007 (tp30) cc_final: 0.8424 (tp30) REVERT: S0 9 LYS cc_start: 0.9169 (tptt) cc_final: 0.8888 (tptm) REVERT: S0 13 ASP cc_start: 0.8580 (m-30) cc_final: 0.7985 (m-30) REVERT: S1 21 ASN cc_start: 0.7539 (p0) cc_final: 0.6884 (p0) REVERT: S4 9 LYS cc_start: 0.9262 (tptt) cc_final: 0.9046 (tptm) REVERT: S4 13 ASP cc_start: 0.8583 (m-30) cc_final: 0.8165 (m-30) REVERT: S5 6 LYS cc_start: 0.9446 (ptmt) cc_final: 0.9213 (ptpp) REVERT: S5 12 LYS cc_start: 0.9470 (tmmt) cc_final: 0.9270 (tmmt) REVERT: S5 21 ASN cc_start: 0.7480 (p0) cc_final: 0.6911 (p0) REVERT: S7 11 PHE cc_start: 0.9031 (m-10) cc_final: 0.8756 (m-80) REVERT: S8 2 GLU cc_start: 0.8889 (tp30) cc_final: 0.8061 (tp30) REVERT: S8 9 LYS cc_start: 0.9309 (tptt) cc_final: 0.8972 (tptt) REVERT: S9 1 MET cc_start: 0.7455 (mtm) cc_final: 0.7211 (mtm) REVERT: TC 2 GLU cc_start: 0.8965 (tp30) cc_final: 0.8524 (tp30) REVERT: TC 9 LYS cc_start: 0.9263 (tptt) cc_final: 0.8920 (tptt) REVERT: TE 9 LYS cc_start: 0.9543 (tppt) cc_final: 0.9342 (tppt) REVERT: TF 2 GLU cc_start: 0.8402 (pm20) cc_final: 0.8044 (pm20) REVERT: TF 12 LYS cc_start: 0.9179 (tttm) cc_final: 0.8555 (tptp) REVERT: TG 2 GLU cc_start: 0.8896 (tp30) cc_final: 0.8587 (tp30) REVERT: TG 9 LYS cc_start: 0.9297 (tptt) cc_final: 0.9063 (tptm) REVERT: TH 21 ASN cc_start: 0.7336 (p0) cc_final: 0.6944 (p0) REVERT: TJ 2 GLU cc_start: 0.8459 (pm20) cc_final: 0.8161 (pm20) REVERT: TJ 12 LYS cc_start: 0.9022 (tttm) cc_final: 0.8685 (tppt) REVERT: TK 2 GLU cc_start: 0.8980 (tp30) cc_final: 0.8765 (tp30) REVERT: TK 9 LYS cc_start: 0.9237 (tptt) cc_final: 0.8788 (tptt) REVERT: TK 12 LYS cc_start: 0.9112 (ttmt) cc_final: 0.8884 (mptt) REVERT: TL 1 MET cc_start: 0.7413 (mtm) cc_final: 0.7184 (mtm) REVERT: TL 6 LYS cc_start: 0.9429 (ptmt) cc_final: 0.9049 (ptpp) REVERT: TL 21 ASN cc_start: 0.7569 (p0) cc_final: 0.7209 (p0) REVERT: TM 1 MET cc_start: 0.7603 (tmm) cc_final: 0.7006 (tmm) REVERT: TM 3 PHE cc_start: 0.9018 (m-80) cc_final: 0.8651 (m-10) REVERT: TN 12 LYS cc_start: 0.9054 (tttm) cc_final: 0.8695 (tppt) REVERT: TO 2 GLU cc_start: 0.8913 (tp30) cc_final: 0.7939 (tp30) REVERT: TO 6 LYS cc_start: 0.9017 (ttmm) cc_final: 0.8778 (mmtm) REVERT: TO 12 LYS cc_start: 0.9182 (ttmt) cc_final: 0.8962 (mptt) REVERT: TO 17 LYS cc_start: 0.9189 (mtpp) cc_final: 0.8953 (mtpp) REVERT: TP 12 LYS cc_start: 0.9401 (tmmt) cc_final: 0.9118 (tmmt) REVERT: TP 13 ASP cc_start: 0.8983 (t0) cc_final: 0.8641 (t0) REVERT: TQ 1 MET cc_start: 0.7348 (tmm) cc_final: 0.6819 (tmm) REVERT: TQ 3 PHE cc_start: 0.8863 (m-80) cc_final: 0.8573 (m-80) REVERT: TR 12 LYS cc_start: 0.9105 (tttm) cc_final: 0.8709 (tppt) REVERT: TS 9 LYS cc_start: 0.9243 (tptt) cc_final: 0.8834 (tptm) REVERT: TS 12 LYS cc_start: 0.9153 (ttmt) cc_final: 0.8838 (mptt) REVERT: TS 13 ASP cc_start: 0.8612 (m-30) cc_final: 0.7724 (m-30) REVERT: TT 1 MET cc_start: 0.7407 (mtm) cc_final: 0.7150 (mtm) REVERT: TT 12 LYS cc_start: 0.9412 (tmmt) cc_final: 0.9162 (tmmt) REVERT: TU 1 MET cc_start: 0.7492 (tmm) cc_final: 0.6942 (tmm) REVERT: TV 12 LYS cc_start: 0.9026 (tttm) cc_final: 0.8678 (tppt) REVERT: TW 2 GLU cc_start: 0.8881 (tp30) cc_final: 0.8241 (tp30) REVERT: TW 9 LYS cc_start: 0.9211 (tptt) cc_final: 0.8940 (tptm) REVERT: TW 12 LYS cc_start: 0.9188 (ttmt) cc_final: 0.8868 (mptt) REVERT: TW 13 ASP cc_start: 0.8508 (m-30) cc_final: 0.8045 (m-30) REVERT: TX 6 LYS cc_start: 0.9427 (ptmt) cc_final: 0.9201 (ptpp) REVERT: TZ 12 LYS cc_start: 0.9172 (tttm) cc_final: 0.8842 (tptt) REVERT: T0 2 GLU cc_start: 0.8978 (tp30) cc_final: 0.8440 (tp30) REVERT: T0 9 LYS cc_start: 0.9324 (tptt) cc_final: 0.9068 (tptm) REVERT: T0 12 LYS cc_start: 0.9154 (ttmt) cc_final: 0.8893 (mptt) REVERT: T3 12 LYS cc_start: 0.9038 (tttm) cc_final: 0.8694 (tppt) REVERT: T4 2 GLU cc_start: 0.8954 (tp30) cc_final: 0.8726 (tp30) REVERT: T4 9 LYS cc_start: 0.9301 (tptt) cc_final: 0.8965 (tptp) REVERT: T4 13 ASP cc_start: 0.8469 (m-30) cc_final: 0.7788 (m-30) REVERT: T5 12 LYS cc_start: 0.9401 (tmmt) cc_final: 0.9163 (tmmt) REVERT: T5 21 ASN cc_start: 0.7091 (p0) cc_final: 0.6593 (p0) REVERT: T6 1 MET cc_start: 0.7296 (tmm) cc_final: 0.6948 (tmm) REVERT: T7 12 LYS cc_start: 0.9136 (tttm) cc_final: 0.8764 (tppt) REVERT: T8 2 GLU cc_start: 0.8987 (tp30) cc_final: 0.8432 (tp30) REVERT: T8 9 LYS cc_start: 0.9232 (tptt) cc_final: 0.8955 (tptm) REVERT: T8 12 LYS cc_start: 0.9174 (ttmt) cc_final: 0.8948 (mptt) REVERT: T8 13 ASP cc_start: 0.8423 (m-30) cc_final: 0.7946 (m-30) REVERT: T9 6 LYS cc_start: 0.9392 (ptmt) cc_final: 0.9031 (ptpp) REVERT: UA 1 MET cc_start: 0.7057 (tmm) cc_final: 0.6608 (tmm) REVERT: UB 2 GLU cc_start: 0.8378 (pm20) cc_final: 0.8023 (pm20) REVERT: UB 12 LYS cc_start: 0.9141 (tttm) cc_final: 0.8754 (tppt) REVERT: UB 15 LEU cc_start: 0.9598 (tp) cc_final: 0.9378 (tp) REVERT: UC 2 GLU cc_start: 0.8948 (tp30) cc_final: 0.8157 (tp30) REVERT: UC 12 LYS cc_start: 0.9132 (ttmt) cc_final: 0.8902 (mptt) REVERT: UD 6 LYS cc_start: 0.9408 (ptmt) cc_final: 0.9195 (ptpp) REVERT: UD 21 ASN cc_start: 0.7351 (p0) cc_final: 0.6987 (p0) REVERT: UF 1 MET cc_start: 0.7831 (ptt) cc_final: 0.7516 (ptt) REVERT: UF 12 LYS cc_start: 0.9278 (tttm) cc_final: 0.8723 (tppt) REVERT: UG 2 GLU cc_start: 0.9028 (tp30) cc_final: 0.8616 (tp30) REVERT: UG 12 LYS cc_start: 0.9075 (ttmt) cc_final: 0.8805 (mptt) REVERT: UH 6 LYS cc_start: 0.9422 (ptmt) cc_final: 0.9021 (ptmt) REVERT: UI 1 MET cc_start: 0.7298 (tmm) cc_final: 0.7056 (tmm) REVERT: UI 9 LYS cc_start: 0.9552 (tppt) cc_final: 0.9352 (tppt) REVERT: UK 2 GLU cc_start: 0.8811 (tp30) cc_final: 0.7886 (tp30) REVERT: UK 6 LYS cc_start: 0.9117 (ttmm) cc_final: 0.8855 (mmtp) REVERT: UK 9 LYS cc_start: 0.9295 (tptt) cc_final: 0.8937 (tptt) REVERT: UK 13 ASP cc_start: 0.8670 (m-30) cc_final: 0.8131 (m-30) REVERT: UN 12 LYS cc_start: 0.9283 (tttm) cc_final: 0.8803 (tppt) REVERT: UO 2 GLU cc_start: 0.8842 (tp30) cc_final: 0.7877 (tp30) REVERT: UO 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.8298 (m-30) REVERT: UP 6 LYS cc_start: 0.9344 (ptmt) cc_final: 0.9119 (ptpp) REVERT: UP 12 LYS cc_start: 0.9425 (tmmt) cc_final: 0.9167 (tmmt) REVERT: US 9 LYS cc_start: 0.9220 (tptt) cc_final: 0.8909 (tptm) REVERT: US 13 ASP cc_start: 0.8561 (m-30) cc_final: 0.8057 (m-30) REVERT: UT 6 LYS cc_start: 0.9337 (ptmt) cc_final: 0.9103 (ptpp) REVERT: UV 12 LYS cc_start: 0.9167 (tttm) cc_final: 0.8863 (tppt) outliers start: 0 outliers final: 0 residues processed: 6311 average time/residue: 1.3760 time to fit residues: 14807.5048 Evaluate side-chains 5042 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 5042 time to evaluate : 13.832 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1608 random chunks: chunk 1357 optimal weight: 5.9990 chunk 1218 optimal weight: 8.9990 chunk 676 optimal weight: 4.9990 chunk 416 optimal weight: 5.9990 chunk 822 optimal weight: 5.9990 chunk 651 optimal weight: 1.9990 chunk 1260 optimal weight: 6.9990 chunk 487 optimal weight: 9.9990 chunk 766 optimal weight: 9.9990 chunk 938 optimal weight: 9.9990 chunk 1460 optimal weight: 7.9990 overall best weight: 4.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** M 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 22 ASN ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BL 22 ASN ** BS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** EX 22 ASN ** E0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G5 22 ASN ** HC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** HL 22 ASN ** HW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** JH 22 ASN ** JK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** KH 22 ASN ** KO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ML 22 ASN ** MO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ND 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NP 22 ASN ** NS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O1 22 ASN ** O8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q5 22 ASN Q9 22 ASN ** RC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S1 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8571 moved from start: 0.2656 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.026 146328 Z= 0.257 Angle : 0.656 14.740 191955 Z= 0.320 Chirality : 0.035 0.139 19497 Planarity : 0.003 0.016 22914 Dihedral : 3.920 16.132 16281 Min Nonbonded Distance : 2.232 Molprobity Statistics. All-atom Clashscore : 10.83 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.54 % Favored : 94.46 % Rotamer: Outliers : 4.21 % Allowed : 24.48 % Favored : 71.31 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.72 (0.06), residues: 15477 helix: -0.04 (0.04), residues: 14271 sheet: None (None), residues: 0 loop : -4.38 (0.07), residues: 1206 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.032 0.002 PHE h 11 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6279 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 617 poor density : 5662 time to evaluate : 15.476 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 6 LYS cc_start: 0.9067 (ttmm) cc_final: 0.8194 (tmtt) REVERT: A 9 LYS cc_start: 0.9286 (tptm) cc_final: 0.9082 (tptm) REVERT: A 13 ASP cc_start: 0.8764 (m-30) cc_final: 0.8458 (m-30) REVERT: A 17 LYS cc_start: 0.9338 (mtpp) cc_final: 0.8841 (pptt) REVERT: B 6 LYS cc_start: 0.9001 (ptmt) cc_final: 0.8696 (pttt) REVERT: B 12 LYS cc_start: 0.9409 (tmmt) cc_final: 0.9102 (tmmt) REVERT: D 1 MET cc_start: 0.7431 (ptt) cc_final: 0.4635 (mmt) REVERT: E 6 LYS cc_start: 0.9084 (ttmm) cc_final: 0.8088 (tmtt) REVERT: E 9 LYS cc_start: 0.9183 (tptt) cc_final: 0.8842 (tptt) REVERT: E 17 LYS cc_start: 0.9354 (mtpp) cc_final: 0.8858 (pptt) REVERT: F 1 MET cc_start: 0.7454 (mtp) cc_final: 0.7217 (mtm) REVERT: F 6 LYS cc_start: 0.9207 (ptmt) cc_final: 0.8631 (pptt) REVERT: F 12 LYS cc_start: 0.9258 (tmmt) cc_final: 0.9027 (tmmt) REVERT: H 1 MET cc_start: 0.6925 (ptt) cc_final: 0.5057 (mmt) REVERT: I 6 LYS cc_start: 0.9008 (ttmm) cc_final: 0.8235 (tmtt) REVERT: I 9 LYS cc_start: 0.9216 (tptt) cc_final: 0.8882 (tptp) REVERT: I 13 ASP cc_start: 0.8819 (m-30) cc_final: 0.8256 (m-30) REVERT: I 17 LYS cc_start: 0.9322 (mtpp) cc_final: 0.8835 (pttt) REVERT: J 6 LYS cc_start: 0.8907 (ptmt) cc_final: 0.8458 (pptt) REVERT: J 13 ASP cc_start: 0.8942 (t0) cc_final: 0.8655 (t0) REVERT: K 2 GLU cc_start: 0.8498 (tp30) cc_final: 0.8284 (tp30) REVERT: K 18 PHE cc_start: 0.8724 (t80) cc_final: 0.8473 (t80) REVERT: L 1 MET cc_start: 0.7572 (ptt) cc_final: 0.5251 (mmt) REVERT: M 1 MET cc_start: 0.7850 (pmm) cc_final: 0.7344 (pmm) REVERT: M 6 LYS cc_start: 0.9130 (ttmm) cc_final: 0.8197 (tmtt) REVERT: M 17 LYS cc_start: 0.9264 (mtpp) cc_final: 0.8839 (pptt) REVERT: N 6 LYS cc_start: 0.9205 (ptmt) cc_final: 0.8752 (pttp) REVERT: O 2 GLU cc_start: 0.7947 (tm-30) cc_final: 0.7704 (tm-30) REVERT: O 17 LYS cc_start: 0.9237 (mttt) cc_final: 0.8281 (tmtt) REVERT: P 1 MET cc_start: 0.7319 (ptt) cc_final: 0.5700 (mmt) REVERT: P 11 PHE cc_start: 0.9031 (m-10) cc_final: 0.8793 (m-80) REVERT: Q 6 LYS cc_start: 0.9006 (ttmm) cc_final: 0.7993 (tmtt) REVERT: Q 9 LYS cc_start: 0.9267 (tptt) cc_final: 0.9023 (tptm) REVERT: Q 13 ASP cc_start: 0.8645 (m-30) cc_final: 0.8098 (m-30) REVERT: Q 17 LYS cc_start: 0.9248 (mtpp) cc_final: 0.8719 (pptt) REVERT: R 6 LYS cc_start: 0.9119 (ptmt) cc_final: 0.8599 (pptt) REVERT: T 1 MET cc_start: 0.7728 (ptt) cc_final: 0.5568 (mmt) REVERT: T 12 LYS cc_start: 0.9249 (tttm) cc_final: 0.8829 (tppt) REVERT: U 6 LYS cc_start: 0.9031 (ttmm) cc_final: 0.8202 (tmtt) REVERT: U 17 LYS cc_start: 0.9231 (mtpp) cc_final: 0.8848 (pttt) REVERT: V 6 LYS cc_start: 0.9053 (ptmt) cc_final: 0.8698 (pttp) REVERT: W 1 MET cc_start: 0.7445 (tmm) cc_final: 0.7082 (tmm) REVERT: W 17 LYS cc_start: 0.9069 (mttt) cc_final: 0.8332 (tmtt) REVERT: X 1 MET cc_start: 0.7224 (ptt) cc_final: 0.6896 (ptm) REVERT: X 9 LYS cc_start: 0.9225 (tppt) cc_final: 0.8988 (ttmm) REVERT: X 12 LYS cc_start: 0.9294 (OUTLIER) cc_final: 0.8652 (tppt) REVERT: Y 6 LYS cc_start: 0.9023 (ttmm) cc_final: 0.8232 (tmtt) REVERT: Y 9 LYS cc_start: 0.9316 (tptt) cc_final: 0.8962 (tptt) REVERT: Y 17 LYS cc_start: 0.9382 (mtpp) cc_final: 0.8789 (pptt) REVERT: Z 1 MET cc_start: 0.7558 (mtm) cc_final: 0.7304 (mtm) REVERT: Z 6 LYS cc_start: 0.8874 (ptmt) cc_final: 0.8353 (pptt) REVERT: 0 17 LYS cc_start: 0.9065 (mttt) cc_final: 0.7937 (tmtt) REVERT: 1 1 MET cc_start: 0.7640 (ptt) cc_final: 0.5358 (mmt) REVERT: 1 9 LYS cc_start: 0.9207 (tppt) cc_final: 0.9004 (ttmm) REVERT: 1 12 LYS cc_start: 0.9220 (tttm) cc_final: 0.8761 (tppt) REVERT: 2 6 LYS cc_start: 0.9042 (ttmm) cc_final: 0.8074 (tmtt) REVERT: 2 9 LYS cc_start: 0.9126 (tptp) cc_final: 0.8865 (tptt) REVERT: 2 13 ASP cc_start: 0.8631 (m-30) cc_final: 0.8181 (m-30) REVERT: 2 17 LYS cc_start: 0.9216 (mtpp) cc_final: 0.8854 (pptt) REVERT: 3 6 LYS cc_start: 0.9062 (ptmt) cc_final: 0.8663 (pptt) REVERT: 4 17 LYS cc_start: 0.9190 (mttt) cc_final: 0.8029 (tmtt) REVERT: 5 1 MET cc_start: 0.7255 (ptt) cc_final: 0.5163 (mmt) REVERT: 5 11 PHE cc_start: 0.9211 (m-10) cc_final: 0.8896 (m-80) REVERT: 6 6 LYS cc_start: 0.8974 (ttmm) cc_final: 0.8235 (tmtt) REVERT: 6 9 LYS cc_start: 0.9328 (tptm) cc_final: 0.8853 (tptt) REVERT: 6 17 LYS cc_start: 0.9317 (mtpp) cc_final: 0.8894 (pptt) REVERT: 7 6 LYS cc_start: 0.9066 (ptmt) cc_final: 0.8642 (pptt) REVERT: 8 17 LYS cc_start: 0.9155 (mttt) cc_final: 0.8191 (tmtt) REVERT: 9 11 PHE cc_start: 0.9171 (m-10) cc_final: 0.8893 (m-80) REVERT: a 6 LYS cc_start: 0.8997 (ttmm) cc_final: 0.8232 (tmtt) REVERT: a 13 ASP cc_start: 0.8670 (m-30) cc_final: 0.8374 (m-30) REVERT: a 17 LYS cc_start: 0.9348 (mtpp) cc_final: 0.8803 (pttt) REVERT: b 1 MET cc_start: 0.7057 (mtm) cc_final: 0.6590 (mtm) REVERT: b 6 LYS cc_start: 0.9061 (ptmt) cc_final: 0.8620 (pttt) REVERT: c 17 LYS cc_start: 0.9119 (mttt) cc_final: 0.8073 (tmtt) REVERT: d 1 MET cc_start: 0.7601 (ptt) cc_final: 0.5127 (mmt) REVERT: d 12 LYS cc_start: 0.9234 (tmmt) cc_final: 0.8856 (tppt) REVERT: e 1 MET cc_start: 0.7478 (pmm) cc_final: 0.7254 (pmm) REVERT: e 6 LYS cc_start: 0.8935 (ttmm) cc_final: 0.8110 (tmtt) REVERT: e 17 LYS cc_start: 0.9299 (mtpp) cc_final: 0.8828 (pptt) REVERT: f 6 LYS cc_start: 0.9075 (ptmt) cc_final: 0.8548 (pttt) REVERT: h 1 MET cc_start: 0.6479 (ptt) cc_final: 0.5562 (mmt) REVERT: h 12 LYS cc_start: 0.9158 (ttpt) cc_final: 0.8711 (tptp) REVERT: i 6 LYS cc_start: 0.9008 (ttmm) cc_final: 0.8175 (tmtt) REVERT: i 13 ASP cc_start: 0.8727 (m-30) cc_final: 0.8378 (m-30) REVERT: i 17 LYS cc_start: 0.9367 (mtpp) cc_final: 0.8835 (pptt) REVERT: j 6 LYS cc_start: 0.9205 (ptmt) cc_final: 0.8682 (pptt) REVERT: j 12 LYS cc_start: 0.9314 (tmmt) cc_final: 0.9077 (tmmt) REVERT: k 2 GLU cc_start: 0.7649 (OUTLIER) cc_final: 0.7389 (tm-30) REVERT: k 17 LYS cc_start: 0.9093 (mttt) cc_final: 0.8201 (tmtt) REVERT: l 12 LYS cc_start: 0.9261 (ttpt) cc_final: 0.8761 (tppt) REVERT: m 6 LYS cc_start: 0.9015 (ttmm) cc_final: 0.8173 (tmtt) REVERT: m 9 LYS cc_start: 0.9340 (tptt) cc_final: 0.9030 (tptm) REVERT: m 13 ASP cc_start: 0.8741 (m-30) cc_final: 0.8198 (m-30) REVERT: m 17 LYS cc_start: 0.9209 (mtpp) cc_final: 0.8797 (pttp) REVERT: n 6 LYS cc_start: 0.8994 (ptmt) cc_final: 0.8537 (pptt) REVERT: n 17 LYS cc_start: 0.8939 (ttmm) cc_final: 0.8144 (tmtt) REVERT: o 1 MET cc_start: 0.7228 (tmm) cc_final: 0.6875 (tmm) REVERT: p 1 MET cc_start: 0.7295 (ptt) cc_final: 0.5485 (mmt) REVERT: p 12 LYS cc_start: 0.9230 (ttpp) cc_final: 0.8705 (tppt) REVERT: q 9 LYS cc_start: 0.9123 (tptt) cc_final: 0.8715 (tptp) REVERT: q 13 ASP cc_start: 0.8727 (m-30) cc_final: 0.7533 (m-30) REVERT: r 6 LYS cc_start: 0.9262 (ptpt) cc_final: 0.8858 (ptpp) REVERT: r 12 LYS cc_start: 0.9357 (tmmt) cc_final: 0.9110 (tmmt) REVERT: t 1 MET cc_start: 0.7441 (ptt) cc_final: 0.7217 (ptm) REVERT: t 12 LYS cc_start: 0.9289 (ttpt) cc_final: 0.8612 (tptp) REVERT: u 2 GLU cc_start: 0.8911 (tp30) cc_final: 0.8417 (tp30) REVERT: u 6 LYS cc_start: 0.9423 (mmtt) cc_final: 0.8838 (mmtp) REVERT: u 9 LYS cc_start: 0.9266 (tptm) cc_final: 0.8781 (tptt) REVERT: v 1 MET cc_start: 0.7187 (mtm) cc_final: 0.6741 (mtm) REVERT: v 6 LYS cc_start: 0.9281 (ptmt) cc_final: 0.8982 (ptpp) REVERT: v 21 ASN cc_start: 0.7383 (p0) cc_final: 0.7120 (p0) REVERT: x 1 MET cc_start: 0.7096 (ptt) cc_final: 0.6831 (ptt) REVERT: x 15 LEU cc_start: 0.9583 (tp) cc_final: 0.9380 (tp) REVERT: z 12 LYS cc_start: 0.9326 (tmmt) cc_final: 0.9061 (tmmt) REVERT: AA 2 GLU cc_start: 0.7598 (tm-30) cc_final: 0.7367 (tm-30) REVERT: AC 9 LYS cc_start: 0.9253 (tptm) cc_final: 0.9017 (tptm) REVERT: AC 13 ASP cc_start: 0.8725 (m-30) cc_final: 0.8484 (m-30) REVERT: AD 6 LYS cc_start: 0.9370 (ptmt) cc_final: 0.9160 (ptpp) REVERT: AF 12 LYS cc_start: 0.9178 (tttm) cc_final: 0.8692 (tppt) REVERT: AG 1 MET cc_start: 0.7551 (pmm) cc_final: 0.7265 (pmm) REVERT: AG 9 LYS cc_start: 0.9334 (tptm) cc_final: 0.9020 (tptp) REVERT: AG 13 ASP cc_start: 0.8800 (m-30) cc_final: 0.8435 (m-30) REVERT: AH 6 LYS cc_start: 0.9314 (ptmt) cc_final: 0.8991 (ptpp) REVERT: AI 9 LYS cc_start: 0.9311 (tppt) cc_final: 0.9011 (tppt) REVERT: AJ 12 LYS cc_start: 0.9214 (tttm) cc_final: 0.8666 (tppt) REVERT: AJ 13 ASP cc_start: 0.8987 (t0) cc_final: 0.8729 (t0) REVERT: AK 1 MET cc_start: 0.7570 (pmm) cc_final: 0.6542 (pmm) REVERT: AK 2 GLU cc_start: 0.8919 (tp30) cc_final: 0.8647 (tp30) REVERT: AN 1 MET cc_start: 0.7948 (ptp) cc_final: 0.7672 (ptm) REVERT: AN 2 GLU cc_start: 0.8601 (pm20) cc_final: 0.8387 (pm20) REVERT: AN 13 ASP cc_start: 0.8847 (t0) cc_final: 0.8550 (t0) REVERT: AO 1 MET cc_start: 0.7446 (pmm) cc_final: 0.7211 (pmm) REVERT: AO 17 LYS cc_start: 0.9188 (mtpt) cc_final: 0.8864 (mtpt) REVERT: AP 6 LYS cc_start: 0.9328 (ptpt) cc_final: 0.8984 (ptmt) REVERT: AR 1 MET cc_start: 0.7650 (ptt) cc_final: 0.7381 (ptm) REVERT: AR 13 ASP cc_start: 0.9090 (t0) cc_final: 0.8663 (t0) REVERT: AS 2 GLU cc_start: 0.8934 (tp30) cc_final: 0.8277 (tp30) REVERT: AS 6 LYS cc_start: 0.9392 (mmtt) cc_final: 0.9187 (mmtt) REVERT: AS 13 ASP cc_start: 0.8594 (m-30) cc_final: 0.8335 (m-30) REVERT: AT 6 LYS cc_start: 0.9333 (ptmt) cc_final: 0.9035 (ptpp) REVERT: AV 12 LYS cc_start: 0.9311 (tttm) cc_final: 0.8862 (tppt) REVERT: AW 2 GLU cc_start: 0.8831 (tp30) cc_final: 0.8330 (tp30) REVERT: AW 6 LYS cc_start: 0.9304 (mttm) cc_final: 0.8944 (mttm) REVERT: AW 9 LYS cc_start: 0.9276 (tptm) cc_final: 0.8931 (tptt) REVERT: AX 6 LYS cc_start: 0.9278 (ptmt) cc_final: 0.9039 (ptpp) REVERT: AX 12 LYS cc_start: 0.9281 (tmmt) cc_final: 0.9043 (tmmt) REVERT: AX 21 ASN cc_start: 0.7274 (p0) cc_final: 0.6869 (p0) REVERT: AY 18 PHE cc_start: 0.8993 (t80) cc_final: 0.8738 (t80) REVERT: AZ 12 LYS cc_start: 0.9294 (ttpp) cc_final: 0.8825 (tppt) REVERT: A1 21 ASN cc_start: 0.7456 (p0) cc_final: 0.7113 (p0) REVERT: A2 1 MET cc_start: 0.7192 (tmm) cc_final: 0.6799 (tmm) REVERT: A3 13 ASP cc_start: 0.8983 (t0) cc_final: 0.8312 (t0) REVERT: A4 9 LYS cc_start: 0.9140 (tptt) cc_final: 0.8684 (tptp) REVERT: A4 13 ASP cc_start: 0.8579 (m-30) cc_final: 0.7656 (m-30) REVERT: A5 6 LYS cc_start: 0.9259 (ptmt) cc_final: 0.8969 (ptpp) REVERT: A5 12 LYS cc_start: 0.9315 (tmmt) cc_final: 0.9105 (tmmt) REVERT: A5 22 ASN cc_start: 0.7101 (p0) cc_final: 0.6872 (p0) REVERT: A7 13 ASP cc_start: 0.8938 (t0) cc_final: 0.8575 (t0) REVERT: A8 9 LYS cc_start: 0.9182 (tptt) cc_final: 0.8687 (tptm) REVERT: A8 13 ASP cc_start: 0.8749 (m-30) cc_final: 0.7937 (m-30) REVERT: A9 6 LYS cc_start: 0.9364 (ptmt) cc_final: 0.9107 (ptpp) REVERT: BB 13 ASP cc_start: 0.9015 (t0) cc_final: 0.8585 (t0) REVERT: BC 9 LYS cc_start: 0.9286 (tptt) cc_final: 0.8831 (tptm) REVERT: BC 13 ASP cc_start: 0.8618 (m-30) cc_final: 0.7871 (m-30) REVERT: BD 11 PHE cc_start: 0.9030 (OUTLIER) cc_final: 0.8827 (m-10) REVERT: BF 12 LYS cc_start: 0.9201 (ttpt) cc_final: 0.8577 (tptp) REVERT: BF 13 ASP cc_start: 0.9023 (t0) cc_final: 0.8567 (t0) REVERT: BG 13 ASP cc_start: 0.8546 (m-30) cc_final: 0.8226 (m-30) REVERT: BJ 12 LYS cc_start: 0.9248 (ttpt) cc_final: 0.8749 (tppt) REVERT: BK 2 GLU cc_start: 0.8800 (tp30) cc_final: 0.8342 (tp30) REVERT: BK 9 LYS cc_start: 0.9152 (tptt) cc_final: 0.8635 (tptm) REVERT: BK 13 ASP cc_start: 0.8561 (m-30) cc_final: 0.7494 (m-30) REVERT: BM 1 MET cc_start: 0.7396 (tmm) cc_final: 0.6979 (tmm) REVERT: BO 2 GLU cc_start: 0.9120 (tp30) cc_final: 0.8848 (tp30) REVERT: BP 6 LYS cc_start: 0.9421 (ptmt) cc_final: 0.9198 (ptpp) REVERT: BP 21 ASN cc_start: 0.7632 (p0) cc_final: 0.7370 (p0) REVERT: BQ 1 MET cc_start: 0.7530 (tmm) cc_final: 0.7143 (tmm) REVERT: BR 12 LYS cc_start: 0.9191 (ttpt) cc_final: 0.8748 (tppt) REVERT: BT 6 LYS cc_start: 0.9337 (ptmt) cc_final: 0.9010 (ptpp) REVERT: BU 9 LYS cc_start: 0.9399 (tppt) cc_final: 0.8958 (tppt) REVERT: BV 13 ASP cc_start: 0.8849 (t0) cc_final: 0.8222 (t0) REVERT: BW 9 LYS cc_start: 0.9215 (tptt) cc_final: 0.8832 (tptt) REVERT: BX 6 LYS cc_start: 0.9341 (ptpt) cc_final: 0.9026 (ptpp) REVERT: BX 9 LYS cc_start: 0.9363 (OUTLIER) cc_final: 0.9075 (ttpt) REVERT: BX 12 LYS cc_start: 0.9381 (tmmt) cc_final: 0.9105 (tmmt) REVERT: BY 1 MET cc_start: 0.7025 (tmm) cc_final: 0.6752 (tmm) REVERT: BY 2 GLU cc_start: 0.7775 (tm-30) cc_final: 0.6789 (tm-30) REVERT: BY 6 LYS cc_start: 0.9143 (ttmm) cc_final: 0.8743 (mtpp) REVERT: BZ 13 ASP cc_start: 0.9122 (t0) cc_final: 0.8661 (t0) REVERT: B0 9 LYS cc_start: 0.9294 (tptt) cc_final: 0.8740 (tptp) REVERT: B0 13 ASP cc_start: 0.8672 (m-30) cc_final: 0.7972 (m-30) REVERT: B1 1 MET cc_start: 0.7157 (mtm) cc_final: 0.6865 (mtm) REVERT: B1 13 ASP cc_start: 0.8784 (t0) cc_final: 0.8496 (t0) REVERT: B1 21 ASN cc_start: 0.7454 (p0) cc_final: 0.7222 (p0) REVERT: B3 12 LYS cc_start: 0.9275 (ttpp) cc_final: 0.8633 (tppt) REVERT: B4 2 GLU cc_start: 0.8641 (tp30) cc_final: 0.8013 (tp30) REVERT: B4 6 LYS cc_start: 0.8929 (ttmm) cc_final: 0.8716 (mmtp) REVERT: B4 9 LYS cc_start: 0.9298 (tptt) cc_final: 0.8974 (tptt) REVERT: B5 6 LYS cc_start: 0.9295 (ptmt) cc_final: 0.9021 (ptpp) REVERT: B5 12 LYS cc_start: 0.9410 (tmmt) cc_final: 0.9005 (tmmt) REVERT: B6 2 GLU cc_start: 0.7946 (OUTLIER) cc_final: 0.7373 (tm-30) REVERT: CB 13 ASP cc_start: 0.8906 (t0) cc_final: 0.8389 (t0) REVERT: CC 9 LYS cc_start: 0.9237 (tptm) cc_final: 0.8959 (tptm) REVERT: CC 13 ASP cc_start: 0.8498 (m-30) cc_final: 0.8137 (m-30) REVERT: CD 6 LYS cc_start: 0.9271 (ptmt) cc_final: 0.9028 (ptpp) REVERT: CD 21 ASN cc_start: 0.7336 (p0) cc_final: 0.7045 (p0) REVERT: CE 2 GLU cc_start: 0.7615 (tm-30) cc_final: 0.6963 (tm-30) REVERT: CF 13 ASP cc_start: 0.8917 (t0) cc_final: 0.8255 (t0) REVERT: CG 2 GLU cc_start: 0.8837 (tp30) cc_final: 0.8350 (tp30) REVERT: CG 6 LYS cc_start: 0.9370 (mmtt) cc_final: 0.8997 (mmtp) REVERT: CG 9 LYS cc_start: 0.9152 (tptt) cc_final: 0.8704 (tptm) REVERT: CG 13 ASP cc_start: 0.8698 (m-30) cc_final: 0.8000 (m-30) REVERT: CH 1 MET cc_start: 0.7372 (mtm) cc_final: 0.6917 (mtm) REVERT: CH 6 LYS cc_start: 0.9338 (ptpt) cc_final: 0.9111 (ptpp) REVERT: CH 12 LYS cc_start: 0.9384 (tmmt) cc_final: 0.9022 (tmmt) REVERT: CK 2 GLU cc_start: 0.8795 (tp30) cc_final: 0.8592 (tp30) REVERT: CK 13 ASP cc_start: 0.8670 (m-30) cc_final: 0.8440 (m-30) REVERT: CL 1 MET cc_start: 0.7460 (mtm) cc_final: 0.7084 (mtm) REVERT: CN 9 LYS cc_start: 0.9264 (tppt) cc_final: 0.9034 (ttmm) REVERT: CO 9 LYS cc_start: 0.9152 (tptt) cc_final: 0.8713 (tptt) REVERT: CO 13 ASP cc_start: 0.8686 (m-30) cc_final: 0.7962 (m-30) REVERT: CP 6 LYS cc_start: 0.9180 (ptpt) cc_final: 0.8847 (ptpp) REVERT: CQ 13 ASP cc_start: 0.8928 (t70) cc_final: 0.8721 (p0) REVERT: CR 12 LYS cc_start: 0.9249 (tttt) cc_final: 0.8868 (tppt) REVERT: CS 2 GLU cc_start: 0.8700 (tp30) cc_final: 0.8454 (tp30) REVERT: CS 9 LYS cc_start: 0.9278 (tptt) cc_final: 0.9012 (tptm) REVERT: CT 6 LYS cc_start: 0.9209 (ptmt) cc_final: 0.8971 (ptpp) REVERT: CV 13 ASP cc_start: 0.8962 (t0) cc_final: 0.8629 (t0) REVERT: CW 2 GLU cc_start: 0.8765 (tp30) cc_final: 0.8193 (tp30) REVERT: CW 9 LYS cc_start: 0.9225 (tptm) cc_final: 0.9005 (tptt) REVERT: CW 13 ASP cc_start: 0.8690 (m-30) cc_final: 0.8340 (m-30) REVERT: CX 6 LYS cc_start: 0.9336 (ptmt) cc_final: 0.8970 (ptpp) REVERT: CX 9 LYS cc_start: 0.9252 (tttm) cc_final: 0.9032 (ttpt) REVERT: CX 12 LYS cc_start: 0.9274 (tmmt) cc_final: 0.9019 (tmmt) REVERT: CZ 9 LYS cc_start: 0.9209 (tppt) cc_final: 0.8992 (ttmm) REVERT: CZ 12 LYS cc_start: 0.9336 (ttpt) cc_final: 0.8794 (tppt) REVERT: C0 9 LYS cc_start: 0.9246 (tptt) cc_final: 0.8706 (tptp) REVERT: C0 13 ASP cc_start: 0.8650 (m-30) cc_final: 0.7835 (m-30) REVERT: C1 1 MET cc_start: 0.7097 (mtm) cc_final: 0.6724 (mtm) REVERT: C1 6 LYS cc_start: 0.9294 (ptpt) cc_final: 0.9035 (ptpp) REVERT: C1 12 LYS cc_start: 0.9293 (tmmt) cc_final: 0.9051 (ttpt) REVERT: C5 6 LYS cc_start: 0.9337 (ptpt) cc_final: 0.8848 (ptpp) REVERT: C7 13 ASP cc_start: 0.8970 (t0) cc_final: 0.8418 (t0) REVERT: C8 13 ASP cc_start: 0.8813 (m-30) cc_final: 0.8388 (m-30) REVERT: C9 12 LYS cc_start: 0.9312 (tmmt) cc_final: 0.9011 (tmmt) REVERT: DA 1 MET cc_start: 0.7442 (tmm) cc_final: 0.7047 (tmm) REVERT: DB 1 MET cc_start: 0.7449 (ptt) cc_final: 0.7173 (ptp) REVERT: DB 2 GLU cc_start: 0.8195 (pm20) cc_final: 0.7601 (pm20) REVERT: DC 9 LYS cc_start: 0.9194 (tptt) cc_final: 0.8780 (tptp) REVERT: DC 13 ASP cc_start: 0.8751 (m-30) cc_final: 0.8164 (m-30) REVERT: DD 6 LYS cc_start: 0.9352 (ptmt) cc_final: 0.9032 (ptpp) REVERT: DD 13 ASP cc_start: 0.8823 (t0) cc_final: 0.8540 (t0) REVERT: DE 1 MET cc_start: 0.7423 (tmm) cc_final: 0.7131 (tmm) REVERT: DF 15 LEU cc_start: 0.9611 (tp) cc_final: 0.9247 (tp) REVERT: DG 9 LYS cc_start: 0.9261 (tptt) cc_final: 0.8942 (tptt) REVERT: DH 1 MET cc_start: 0.7426 (mtm) cc_final: 0.7124 (mtm) REVERT: DH 12 LYS cc_start: 0.9345 (tmmt) cc_final: 0.9090 (tmmt) REVERT: DH 21 ASN cc_start: 0.7464 (p0) cc_final: 0.7168 (p0) REVERT: DJ 2 GLU cc_start: 0.8423 (pm20) cc_final: 0.8206 (pm20) REVERT: DK 1 MET cc_start: 0.7479 (pmm) cc_final: 0.6306 (pmm) REVERT: DK 2 GLU cc_start: 0.8836 (tp30) cc_final: 0.8428 (tp30) REVERT: DK 9 LYS cc_start: 0.9364 (tptm) cc_final: 0.8971 (tptt) REVERT: DL 1 MET cc_start: 0.7427 (mtm) cc_final: 0.7028 (mtm) REVERT: DN 1 MET cc_start: 0.7384 (ptt) cc_final: 0.6807 (ptm) REVERT: DN 2 GLU cc_start: 0.8301 (pm20) cc_final: 0.7854 (pm20) REVERT: DN 15 LEU cc_start: 0.9520 (tp) cc_final: 0.9221 (tp) REVERT: DO 1 MET cc_start: 0.7177 (pmm) cc_final: 0.6506 (pmm) REVERT: DP 6 LYS cc_start: 0.9339 (ptmt) cc_final: 0.9084 (ptpp) REVERT: DP 12 LYS cc_start: 0.9304 (tmmt) cc_final: 0.9004 (tmmt) REVERT: DR 12 LYS cc_start: 0.9273 (ttpt) cc_final: 0.8805 (tptp) REVERT: DS 2 GLU cc_start: 0.8890 (tp30) cc_final: 0.8382 (tp30) REVERT: DS 9 LYS cc_start: 0.9180 (tptt) cc_final: 0.8840 (tptt) REVERT: DT 6 LYS cc_start: 0.9309 (ptmt) cc_final: 0.8821 (ptmt) REVERT: DW 6 LYS cc_start: 0.9277 (mmtp) cc_final: 0.8959 (mmtp) REVERT: DW 13 ASP cc_start: 0.8316 (m-30) cc_final: 0.8069 (m-30) REVERT: DX 1 MET cc_start: 0.7039 (mtm) cc_final: 0.6452 (mtm) REVERT: DX 6 LYS cc_start: 0.9305 (ptpt) cc_final: 0.8921 (ptpp) REVERT: DX 13 ASP cc_start: 0.8775 (t0) cc_final: 0.8367 (t0) REVERT: DX 21 ASN cc_start: 0.7686 (p0) cc_final: 0.7350 (p0) REVERT: DY 1 MET cc_start: 0.7127 (tmm) cc_final: 0.6847 (tmm) REVERT: D0 2 GLU cc_start: 0.8783 (tp30) cc_final: 0.7927 (tp30) REVERT: D0 6 LYS cc_start: 0.9049 (ttmm) cc_final: 0.8684 (mmtp) REVERT: D0 9 LYS cc_start: 0.9267 (tptm) cc_final: 0.9045 (tptm) REVERT: D2 9 LYS cc_start: 0.9450 (tppt) cc_final: 0.9233 (tppt) REVERT: D4 2 GLU cc_start: 0.8983 (tp30) cc_final: 0.8428 (tp30) REVERT: D4 9 LYS cc_start: 0.9241 (tptt) cc_final: 0.9002 (tptm) REVERT: D4 13 ASP cc_start: 0.8672 (m-30) cc_final: 0.8291 (m-30) REVERT: D5 1 MET cc_start: 0.7116 (mtm) cc_final: 0.6758 (mtm) REVERT: D5 21 ASN cc_start: 0.7625 (p0) cc_final: 0.7173 (p0) REVERT: D7 2 GLU cc_start: 0.8376 (pm20) cc_final: 0.8015 (pm20) REVERT: D7 9 LYS cc_start: 0.9244 (tppt) cc_final: 0.9038 (ttmm) REVERT: D7 12 LYS cc_start: 0.9182 (ttpt) cc_final: 0.8637 (tppt) REVERT: D7 13 ASP cc_start: 0.8963 (t0) cc_final: 0.8344 (t0) REVERT: ED 1 MET cc_start: 0.7286 (mtm) cc_final: 0.6986 (mtm) REVERT: ED 12 LYS cc_start: 0.9303 (tmmt) cc_final: 0.9087 (tmmt) REVERT: EE 1 MET cc_start: 0.7613 (tmm) cc_final: 0.7389 (tmm) REVERT: EF 13 ASP cc_start: 0.9027 (t0) cc_final: 0.8557 (t0) REVERT: EG 2 GLU cc_start: 0.8679 (tp30) cc_final: 0.8122 (tp30) REVERT: EG 6 LYS cc_start: 0.9043 (ttmm) cc_final: 0.8836 (mmtm) REVERT: EG 9 LYS cc_start: 0.9311 (tptt) cc_final: 0.8948 (tptm) REVERT: EG 13 ASP cc_start: 0.8676 (m-30) cc_final: 0.8154 (m-30) REVERT: EH 6 LYS cc_start: 0.9355 (ptmt) cc_final: 0.9072 (ptpp) REVERT: EK 2 GLU cc_start: 0.8947 (tp30) cc_final: 0.8611 (tp30) REVERT: EK 6 LYS cc_start: 0.9430 (mmtt) cc_final: 0.9066 (mttm) REVERT: EK 9 LYS cc_start: 0.9140 (tptt) cc_final: 0.8770 (tptp) REVERT: EK 13 ASP cc_start: 0.8562 (m-30) cc_final: 0.7721 (m-30) REVERT: EL 12 LYS cc_start: 0.9317 (ttpt) cc_final: 0.9009 (tmmt) REVERT: EL 21 ASN cc_start: 0.7289 (p0) cc_final: 0.6964 (p0) REVERT: EP 1 MET cc_start: 0.7462 (mtm) cc_final: 0.7178 (mtm) REVERT: EP 6 LYS cc_start: 0.9243 (ptmt) cc_final: 0.8861 (ptpp) REVERT: EQ 13 ASP cc_start: 0.9086 (t70) cc_final: 0.8820 (t0) REVERT: ES 9 LYS cc_start: 0.9237 (tptt) cc_final: 0.8902 (tptp) REVERT: ES 15 LEU cc_start: 0.8481 (OUTLIER) cc_final: 0.8239 (tt) REVERT: ET 6 LYS cc_start: 0.9362 (ptpt) cc_final: 0.9161 (ptpp) REVERT: ET 12 LYS cc_start: 0.9353 (tmmt) cc_final: 0.9097 (tmmt) REVERT: EV 2 GLU cc_start: 0.8441 (pm20) cc_final: 0.8204 (pm20) REVERT: EV 12 LYS cc_start: 0.9284 (tttm) cc_final: 0.8757 (tppt) REVERT: EW 2 GLU cc_start: 0.8637 (tp30) cc_final: 0.8338 (tp30) REVERT: EW 9 LYS cc_start: 0.9209 (tptm) cc_final: 0.8834 (tptp) REVERT: EW 13 ASP cc_start: 0.8861 (m-30) cc_final: 0.8420 (m-30) REVERT: EX 6 LYS cc_start: 0.9324 (ptmt) cc_final: 0.8995 (ptpp) REVERT: EY 10 PHE cc_start: 0.9204 (t80) cc_final: 0.8866 (t80) REVERT: E0 9 LYS cc_start: 0.9216 (tptt) cc_final: 0.9006 (tptm) REVERT: E0 13 ASP cc_start: 0.8608 (m-30) cc_final: 0.8336 (m-30) REVERT: E1 6 LYS cc_start: 0.9334 (ptmt) cc_final: 0.8942 (ptmt) REVERT: E4 1 MET cc_start: 0.7669 (pmm) cc_final: 0.6597 (pmm) REVERT: E4 2 GLU cc_start: 0.8914 (tp30) cc_final: 0.8314 (tp30) REVERT: E4 9 LYS cc_start: 0.9226 (tptt) cc_final: 0.8945 (tptm) REVERT: E4 13 ASP cc_start: 0.8539 (m-30) cc_final: 0.8031 (m-30) REVERT: E4 18 PHE cc_start: 0.8877 (t80) cc_final: 0.8639 (t80) REVERT: E5 1 MET cc_start: 0.7024 (mtm) cc_final: 0.6550 (mtm) REVERT: E5 6 LYS cc_start: 0.9439 (ptmt) cc_final: 0.9144 (ptpp) REVERT: E7 13 ASP cc_start: 0.8998 (t0) cc_final: 0.8600 (t0) REVERT: E8 9 LYS cc_start: 0.9240 (tptt) cc_final: 0.8937 (tptm) REVERT: E8 13 ASP cc_start: 0.8448 (m-30) cc_final: 0.7865 (m-30) REVERT: FA 3 PHE cc_start: 0.8943 (m-80) cc_final: 0.8679 (m-10) REVERT: FB 2 GLU cc_start: 0.8306 (pm20) cc_final: 0.8080 (pm20) REVERT: FC 9 LYS cc_start: 0.9130 (tptt) cc_final: 0.8556 (tptp) REVERT: FC 13 ASP cc_start: 0.8501 (m-30) cc_final: 0.7063 (m-30) REVERT: FD 6 LYS cc_start: 0.9257 (ptmt) cc_final: 0.8901 (ptpp) REVERT: FF 1 MET cc_start: 0.7195 (ptt) cc_final: 0.6726 (ptm) REVERT: FF 12 LYS cc_start: 0.9122 (tttt) cc_final: 0.8695 (tppt) REVERT: FG 2 GLU cc_start: 0.8815 (tp30) cc_final: 0.8088 (tp30) REVERT: FG 6 LYS cc_start: 0.9212 (mmtp) cc_final: 0.8896 (mmtp) REVERT: FG 9 LYS cc_start: 0.9220 (tptm) cc_final: 0.9012 (tptm) REVERT: FG 15 LEU cc_start: 0.7989 (OUTLIER) cc_final: 0.7786 (tt) REVERT: FH 1 MET cc_start: 0.7419 (mtm) cc_final: 0.7189 (mtm) REVERT: FH 6 LYS cc_start: 0.9250 (ptmt) cc_final: 0.8945 (ptpp) REVERT: FH 12 LYS cc_start: 0.9223 (tmmt) cc_final: 0.9016 (tmmt) REVERT: FI 1 MET cc_start: 0.7127 (tmm) cc_final: 0.6735 (tmm) REVERT: FK 9 LYS cc_start: 0.9107 (tptt) cc_final: 0.8895 (tptm) REVERT: FL 6 LYS cc_start: 0.9339 (ptmt) cc_final: 0.9027 (ptpp) REVERT: FN 13 ASP cc_start: 0.8975 (t0) cc_final: 0.8434 (t0) REVERT: FO 2 GLU cc_start: 0.8835 (tp30) cc_final: 0.8414 (tp30) REVERT: FO 9 LYS cc_start: 0.9244 (tptt) cc_final: 0.8820 (tptp) REVERT: FO 13 ASP cc_start: 0.8571 (m-30) cc_final: 0.7764 (m-30) REVERT: FS 2 GLU cc_start: 0.8772 (tp30) cc_final: 0.8156 (tp30) REVERT: FS 6 LYS cc_start: 0.9029 (ttmm) cc_final: 0.8716 (mmtp) REVERT: FS 9 LYS cc_start: 0.9157 (tptt) cc_final: 0.8683 (tptm) REVERT: FS 13 ASP cc_start: 0.8621 (m-30) cc_final: 0.7852 (m-30) REVERT: FT 6 LYS cc_start: 0.9368 (ptmt) cc_final: 0.9136 (ptpp) REVERT: FT 12 LYS cc_start: 0.9344 (tmmt) cc_final: 0.8996 (tmmt) REVERT: FV 2 GLU cc_start: 0.8416 (pm20) cc_final: 0.8100 (pm20) REVERT: FV 9 LYS cc_start: 0.9239 (tppt) cc_final: 0.9032 (ttmm) REVERT: FW 2 GLU cc_start: 0.8742 (tp30) cc_final: 0.8420 (tp30) REVERT: FX 21 ASN cc_start: 0.6980 (p0) cc_final: 0.6763 (p0) REVERT: FY 1 MET cc_start: 0.7564 (tmm) cc_final: 0.7278 (tmm) REVERT: FZ 12 LYS cc_start: 0.9230 (ttpt) cc_final: 0.8678 (tptp) REVERT: F0 2 GLU cc_start: 0.8923 (tp30) cc_final: 0.8343 (tp30) REVERT: F0 6 LYS cc_start: 0.9387 (mmtt) cc_final: 0.9025 (mmtt) REVERT: F0 13 ASP cc_start: 0.8676 (m-30) cc_final: 0.8462 (m-30) REVERT: F2 9 LYS cc_start: 0.9338 (tppt) cc_final: 0.8766 (tppt) REVERT: F2 10 PHE cc_start: 0.9144 (t80) cc_final: 0.8531 (t80) REVERT: F3 12 LYS cc_start: 0.9231 (tttt) cc_final: 0.8742 (tppt) REVERT: F4 2 GLU cc_start: 0.8834 (tp30) cc_final: 0.8455 (tp30) REVERT: F4 9 LYS cc_start: 0.9145 (tptt) cc_final: 0.8635 (tptm) REVERT: F4 13 ASP cc_start: 0.8470 (m-30) cc_final: 0.7509 (m-30) REVERT: F5 12 LYS cc_start: 0.9323 (tmmt) cc_final: 0.9013 (tmmt) REVERT: F8 2 GLU cc_start: 0.9120 (tp30) cc_final: 0.8163 (tp30) REVERT: F8 6 LYS cc_start: 0.9288 (mmtp) cc_final: 0.8729 (mttm) REVERT: F9 6 LYS cc_start: 0.9344 (ptmt) cc_final: 0.8977 (ptpp) REVERT: F9 21 ASN cc_start: 0.7683 (p0) cc_final: 0.7286 (p0) REVERT: GA 2 GLU cc_start: 0.8098 (tp30) cc_final: 0.7789 (tp30) REVERT: GB 1 MET cc_start: 0.7550 (ptt) cc_final: 0.7130 (ptm) REVERT: GB 12 LYS cc_start: 0.9241 (ttpt) cc_final: 0.8680 (tptp) REVERT: GC 1 MET cc_start: 0.7610 (pmm) cc_final: 0.6900 (pmm) REVERT: GC 9 LYS cc_start: 0.9231 (tptm) cc_final: 0.8999 (tptm) REVERT: GC 13 ASP cc_start: 0.8629 (m-30) cc_final: 0.8314 (m-30) REVERT: GD 6 LYS cc_start: 0.9270 (ptmt) cc_final: 0.8979 (ptpp) REVERT: GG 2 GLU cc_start: 0.8833 (tp30) cc_final: 0.8528 (tp30) REVERT: GH 12 LYS cc_start: 0.9335 (tmmt) cc_final: 0.9039 (tmmt) REVERT: GH 21 ASN cc_start: 0.7651 (p0) cc_final: 0.7413 (p0) REVERT: GJ 2 GLU cc_start: 0.8688 (pm20) cc_final: 0.8462 (pm20) REVERT: GK 9 LYS cc_start: 0.9273 (tptm) cc_final: 0.8949 (tptt) REVERT: GL 6 LYS cc_start: 0.9252 (ptmt) cc_final: 0.9010 (ptpp) REVERT: GL 21 ASN cc_start: 0.7405 (p0) cc_final: 0.7173 (p0) REVERT: GN 12 LYS cc_start: 0.9000 (tttm) cc_final: 0.8430 (tptp) REVERT: GO 2 GLU cc_start: 0.8731 (tp30) cc_final: 0.8263 (tp30) REVERT: GO 9 LYS cc_start: 0.9263 (tptt) cc_final: 0.8802 (tptt) REVERT: GO 13 ASP cc_start: 0.8429 (m-30) cc_final: 0.7456 (m-30) REVERT: GP 6 LYS cc_start: 0.9234 (ptmt) cc_final: 0.8842 (ptmt) REVERT: GP 21 ASN cc_start: 0.7251 (p0) cc_final: 0.6987 (p0) REVERT: GQ 9 LYS cc_start: 0.9395 (tppt) cc_final: 0.9065 (tppt) REVERT: GR 12 LYS cc_start: 0.9275 (tttm) cc_final: 0.8780 (tppt) REVERT: GS 2 GLU cc_start: 0.8922 (tp30) cc_final: 0.8637 (tp30) REVERT: GS 9 LYS cc_start: 0.9205 (tptm) cc_final: 0.8837 (tptm) REVERT: GS 13 ASP cc_start: 0.8591 (m-30) cc_final: 0.8364 (m-30) REVERT: GT 1 MET cc_start: 0.6966 (mtm) cc_final: 0.6726 (mtm) REVERT: GV 13 ASP cc_start: 0.8873 (t0) cc_final: 0.8360 (t0) REVERT: GW 9 LYS cc_start: 0.9204 (tptm) cc_final: 0.8915 (tptm) REVERT: GW 13 ASP cc_start: 0.8563 (m-30) cc_final: 0.8166 (m-30) REVERT: GX 6 LYS cc_start: 0.9164 (ptpt) cc_final: 0.8848 (ptmm) REVERT: GX 12 LYS cc_start: 0.9265 (tmmt) cc_final: 0.9050 (tmmt) REVERT: GZ 2 GLU cc_start: 0.8389 (pm20) cc_final: 0.8184 (pm20) REVERT: G0 2 GLU cc_start: 0.8741 (tp30) cc_final: 0.8122 (tp30) REVERT: G0 6 LYS cc_start: 0.9332 (mmtm) cc_final: 0.9109 (mmtt) REVERT: G1 6 LYS cc_start: 0.9443 (ptmt) cc_final: 0.9104 (ptpp) REVERT: G3 12 LYS cc_start: 0.9371 (ttpt) cc_final: 0.8860 (tppt) REVERT: G4 1 MET cc_start: 0.7543 (pmm) cc_final: 0.6837 (pmm) REVERT: G4 2 GLU cc_start: 0.8669 (tp30) cc_final: 0.8275 (tp30) REVERT: G5 6 LYS cc_start: 0.9294 (ptmt) cc_final: 0.8978 (ptpp) REVERT: G7 1 MET cc_start: 0.7707 (ptm) cc_final: 0.7435 (ptm) REVERT: G7 2 GLU cc_start: 0.8590 (pm20) cc_final: 0.8101 (pm20) REVERT: G7 12 LYS cc_start: 0.9326 (ttpt) cc_final: 0.8767 (tppt) REVERT: G8 2 GLU cc_start: 0.8550 (tp30) cc_final: 0.8169 (tp30) REVERT: G8 6 LYS cc_start: 0.9194 (mmtm) cc_final: 0.8992 (mmtm) REVERT: G8 9 LYS cc_start: 0.9176 (tptt) cc_final: 0.8907 (tptm) REVERT: G8 13 ASP cc_start: 0.8628 (m-30) cc_final: 0.8103 (m-30) REVERT: G9 6 LYS cc_start: 0.9268 (ptpt) cc_final: 0.9009 (ptpp) REVERT: G9 12 LYS cc_start: 0.9424 (tmmt) cc_final: 0.9061 (tmmt) REVERT: HC 9 LYS cc_start: 0.9239 (tptt) cc_final: 0.8984 (tptm) REVERT: HD 1 MET cc_start: 0.7265 (mtm) cc_final: 0.6984 (mtm) REVERT: HH 11 PHE cc_start: 0.9023 (OUTLIER) cc_final: 0.8597 (m-10) REVERT: HI 1 MET cc_start: 0.6956 (tmm) cc_final: 0.6380 (tmm) REVERT: HJ 13 ASP cc_start: 0.8905 (t0) cc_final: 0.8336 (t0) REVERT: HK 2 GLU cc_start: 0.8792 (tp30) cc_final: 0.8572 (tp30) REVERT: HK 9 LYS cc_start: 0.9196 (tptt) cc_final: 0.8660 (tptp) REVERT: HK 13 ASP cc_start: 0.8670 (m-30) cc_final: 0.7621 (m-30) REVERT: HL 1 MET cc_start: 0.6951 (mtm) cc_final: 0.6682 (mtm) REVERT: HM 1 MET cc_start: 0.7117 (tmm) cc_final: 0.6827 (tmm) REVERT: HN 1 MET cc_start: 0.7502 (ptt) cc_final: 0.7206 (ptp) REVERT: HN 2 GLU cc_start: 0.8234 (pm20) cc_final: 0.7799 (pm20) REVERT: HN 12 LYS cc_start: 0.9193 (tttm) cc_final: 0.8840 (tppt) REVERT: HO 1 MET cc_start: 0.7495 (pmm) cc_final: 0.6912 (pmm) REVERT: HP 6 LYS cc_start: 0.9386 (ptmt) cc_final: 0.9019 (ptpp) REVERT: HR 13 ASP cc_start: 0.9068 (t0) cc_final: 0.8824 (t0) REVERT: HS 2 GLU cc_start: 0.8966 (tp30) cc_final: 0.8246 (tp30) REVERT: HS 6 LYS cc_start: 0.9361 (mmtt) cc_final: 0.9046 (mmtt) REVERT: HS 9 LYS cc_start: 0.9197 (tptm) cc_final: 0.8747 (tptm) REVERT: HS 13 ASP cc_start: 0.8723 (m-30) cc_final: 0.7835 (m-30) REVERT: HT 12 LYS cc_start: 0.9368 (tmmt) cc_final: 0.9043 (tmmt) REVERT: HV 12 LYS cc_start: 0.9268 (tttm) cc_final: 0.8869 (tppt) REVERT: HW 2 GLU cc_start: 0.8669 (tp30) cc_final: 0.8262 (tp30) REVERT: HW 9 LYS cc_start: 0.9167 (tptt) cc_final: 0.8737 (tptt) REVERT: HW 13 ASP cc_start: 0.8631 (m-30) cc_final: 0.8134 (m-30) REVERT: HX 6 LYS cc_start: 0.9362 (ptmt) cc_final: 0.9124 (ptpp) REVERT: HX 12 LYS cc_start: 0.9344 (tmmt) cc_final: 0.9067 (tmmt) REVERT: HY 2 GLU cc_start: 0.8540 (tp30) cc_final: 0.8264 (tp30) REVERT: HZ 9 LYS cc_start: 0.9163 (tppt) cc_final: 0.8953 (ttmm) REVERT: HZ 11 PHE cc_start: 0.9160 (m-10) cc_final: 0.8815 (m-80) REVERT: H0 2 GLU cc_start: 0.8857 (tp30) cc_final: 0.8403 (tp30) REVERT: H0 6 LYS cc_start: 0.9407 (mmtt) cc_final: 0.9134 (mmtt) REVERT: H0 9 LYS cc_start: 0.9280 (tptt) cc_final: 0.8906 (tptt) REVERT: H1 6 LYS cc_start: 0.9292 (ptpt) cc_final: 0.9043 (ptpp) REVERT: H1 21 ASN cc_start: 0.7398 (p0) cc_final: 0.7174 (p0) REVERT: H3 2 GLU cc_start: 0.8289 (pm20) cc_final: 0.7815 (pm20) REVERT: H3 13 ASP cc_start: 0.8905 (t0) cc_final: 0.8692 (t0) REVERT: H4 2 GLU cc_start: 0.8927 (tp30) cc_final: 0.8452 (tp30) REVERT: H4 6 LYS cc_start: 0.9348 (mmtt) cc_final: 0.8962 (mmtt) REVERT: H4 9 LYS cc_start: 0.9218 (tptt) cc_final: 0.8696 (tptp) REVERT: H4 13 ASP cc_start: 0.8595 (m-30) cc_final: 0.7840 (m-30) REVERT: H5 6 LYS cc_start: 0.9309 (ptmt) cc_final: 0.9043 (ptpp) REVERT: H7 13 ASP cc_start: 0.8980 (t0) cc_final: 0.8523 (t0) REVERT: H9 6 LYS cc_start: 0.9287 (ptmt) cc_final: 0.8943 (ptmt) REVERT: H9 21 ASN cc_start: 0.7459 (p0) cc_final: 0.7208 (p0) REVERT: IB 9 LYS cc_start: 0.9225 (tppt) cc_final: 0.9022 (ttmm) REVERT: IC 9 LYS cc_start: 0.9185 (tptt) cc_final: 0.8734 (tptp) REVERT: IC 13 ASP cc_start: 0.8526 (m-30) cc_final: 0.7622 (m-30) REVERT: ID 1 MET cc_start: 0.7113 (mtm) cc_final: 0.6763 (mtm) REVERT: ID 6 LYS cc_start: 0.9362 (ptmt) cc_final: 0.9146 (ptpp) REVERT: IF 12 LYS cc_start: 0.9038 (tttm) cc_final: 0.8705 (tptp) REVERT: IG 2 GLU cc_start: 0.8723 (tp30) cc_final: 0.8219 (tp30) REVERT: IH 6 LYS cc_start: 0.9408 (ptpt) cc_final: 0.9032 (ptpp) REVERT: II 1 MET cc_start: 0.7094 (tmm) cc_final: 0.6651 (tmm) REVERT: II 9 LYS cc_start: 0.9353 (tppt) cc_final: 0.9035 (tppt) REVERT: IJ 12 LYS cc_start: 0.9191 (ttpt) cc_final: 0.8631 (tppt) REVERT: IK 9 LYS cc_start: 0.9200 (tptt) cc_final: 0.8725 (tptp) REVERT: IK 13 ASP cc_start: 0.8618 (m-30) cc_final: 0.7459 (m-30) REVERT: IL 6 LYS cc_start: 0.9270 (ptpt) cc_final: 0.9046 (ptpp) REVERT: IL 21 ASN cc_start: 0.7569 (p0) cc_final: 0.7217 (p0) REVERT: IN 9 LYS cc_start: 0.9379 (tppt) cc_final: 0.9148 (ttmm) REVERT: IN 13 ASP cc_start: 0.9043 (t0) cc_final: 0.8608 (t0) REVERT: IO 2 GLU cc_start: 0.8900 (tp30) cc_final: 0.8549 (tp30) REVERT: IO 6 LYS cc_start: 0.9230 (mttm) cc_final: 0.8952 (mttm) REVERT: IO 9 LYS cc_start: 0.9285 (tptt) cc_final: 0.8942 (tptm) REVERT: IO 13 ASP cc_start: 0.8754 (m-30) cc_final: 0.8233 (m-30) REVERT: IP 1 MET cc_start: 0.7564 (mtm) cc_final: 0.7305 (mtm) REVERT: IP 6 LYS cc_start: 0.9339 (ptpt) cc_final: 0.9039 (ptpp) REVERT: IP 13 ASP cc_start: 0.8917 (t0) cc_final: 0.8650 (t0) REVERT: IQ 1 MET cc_start: 0.6997 (tmm) cc_final: 0.6332 (tmm) REVERT: IR 2 GLU cc_start: 0.8267 (pm20) cc_final: 0.7952 (pm20) REVERT: IR 12 LYS cc_start: 0.9103 (tttt) cc_final: 0.8637 (tptp) REVERT: IS 9 LYS cc_start: 0.9236 (tptt) cc_final: 0.8999 (tptm) REVERT: IT 6 LYS cc_start: 0.9299 (ptmt) cc_final: 0.8868 (ptmt) REVERT: IV 2 GLU cc_start: 0.8383 (pm20) cc_final: 0.8172 (pm20) REVERT: IV 12 LYS cc_start: 0.9262 (ttpp) cc_final: 0.8777 (tppt) REVERT: IW 9 LYS cc_start: 0.9316 (tptm) cc_final: 0.8930 (tptm) REVERT: IW 13 ASP cc_start: 0.8897 (m-30) cc_final: 0.8432 (m-30) REVERT: IZ 1 MET cc_start: 0.7480 (ptt) cc_final: 0.7087 (ptm) REVERT: IZ 2 GLU cc_start: 0.8305 (pm20) cc_final: 0.7572 (pm20) REVERT: IZ 12 LYS cc_start: 0.9157 (tttm) cc_final: 0.8728 (tppt) REVERT: I0 9 LYS cc_start: 0.9256 (tptm) cc_final: 0.9025 (tptm) REVERT: I0 13 ASP cc_start: 0.8488 (m-30) cc_final: 0.8184 (m-30) REVERT: I3 9 LYS cc_start: 0.9193 (tppt) cc_final: 0.8976 (ttmm) REVERT: I3 13 ASP cc_start: 0.8988 (t0) cc_final: 0.8559 (t0) REVERT: I4 9 LYS cc_start: 0.9205 (tptt) cc_final: 0.8939 (tptp) REVERT: I5 12 LYS cc_start: 0.9221 (tmmt) cc_final: 0.8991 (tmmt) REVERT: I7 12 LYS cc_start: 0.9080 (tttt) cc_final: 0.8871 (tptp) REVERT: I8 2 GLU cc_start: 0.8802 (tp30) cc_final: 0.8430 (tp30) REVERT: I8 6 LYS cc_start: 0.9205 (mmtm) cc_final: 0.8874 (mmtp) REVERT: I8 9 LYS cc_start: 0.9253 (tptm) cc_final: 0.8916 (tptt) REVERT: I9 1 MET cc_start: 0.7154 (mtm) cc_final: 0.6923 (mtm) REVERT: I9 6 LYS cc_start: 0.9221 (ptmt) cc_final: 0.8948 (ptpp) REVERT: JA 2 GLU cc_start: 0.8353 (tp30) cc_final: 0.8129 (tm-30) REVERT: JA 9 LYS cc_start: 0.9409 (tppt) cc_final: 0.8808 (tppt) REVERT: JC 9 LYS cc_start: 0.9103 (tptt) cc_final: 0.8770 (tptm) REVERT: JC 13 ASP cc_start: 0.8762 (m-30) cc_final: 0.7820 (m-30) REVERT: JD 12 LYS cc_start: 0.9342 (tmmt) cc_final: 0.9062 (tmmt) REVERT: JF 9 LYS cc_start: 0.9284 (tppt) cc_final: 0.9049 (ttmm) REVERT: JF 12 LYS cc_start: 0.9270 (tttm) cc_final: 0.8899 (tppt) REVERT: JG 2 GLU cc_start: 0.8749 (tp30) cc_final: 0.8141 (tp30) REVERT: JH 12 LYS cc_start: 0.9327 (tmmt) cc_final: 0.9011 (tmmt) REVERT: JJ 15 LEU cc_start: 0.9596 (tp) cc_final: 0.9310 (tp) REVERT: JK 9 LYS cc_start: 0.9232 (tptt) cc_final: 0.8684 (tptm) REVERT: JK 13 ASP cc_start: 0.8639 (m-30) cc_final: 0.7649 (m-30) REVERT: JL 6 LYS cc_start: 0.9054 (ptpp) cc_final: 0.8840 (ptmm) REVERT: JL 13 ASP cc_start: 0.8842 (t70) cc_final: 0.8640 (t0) REVERT: JN 1 MET cc_start: 0.7651 (OUTLIER) cc_final: 0.7286 (ptp) REVERT: JN 12 LYS cc_start: 0.9175 (tttm) cc_final: 0.8599 (tppt) REVERT: JO 2 GLU cc_start: 0.8824 (tp30) cc_final: 0.8532 (tp30) REVERT: JP 6 LYS cc_start: 0.9373 (ptmt) cc_final: 0.9151 (ptpp) REVERT: JP 12 LYS cc_start: 0.9387 (tmmt) cc_final: 0.9137 (tmmt) REVERT: JP 13 ASP cc_start: 0.8872 (t0) cc_final: 0.8541 (t0) REVERT: JS 9 LYS cc_start: 0.9236 (tptt) cc_final: 0.8839 (tptt) REVERT: JS 13 ASP cc_start: 0.8466 (m-30) cc_final: 0.7957 (m-30) REVERT: JV 12 LYS cc_start: 0.8844 (OUTLIER) cc_final: 0.8599 (tppt) REVERT: JV 13 ASP cc_start: 0.8978 (t0) cc_final: 0.8689 (t0) REVERT: JW 1 MET cc_start: 0.7503 (pmm) cc_final: 0.7255 (pmm) REVERT: JW 9 LYS cc_start: 0.9099 (tptt) cc_final: 0.8664 (tptm) REVERT: JW 13 ASP cc_start: 0.8553 (m-30) cc_final: 0.7636 (m-30) REVERT: JX 1 MET cc_start: 0.7322 (mtm) cc_final: 0.7116 (mtm) REVERT: JX 13 ASP cc_start: 0.8740 (t0) cc_final: 0.8503 (t0) REVERT: JZ 13 ASP cc_start: 0.8958 (t0) cc_final: 0.8461 (t0) REVERT: J0 13 ASP cc_start: 0.8760 (m-30) cc_final: 0.8485 (m-30) REVERT: J0 17 LYS cc_start: 0.9246 (mtpp) cc_final: 0.9023 (mtpt) REVERT: J1 13 ASP cc_start: 0.8809 (t0) cc_final: 0.8569 (t70) REVERT: J4 9 LYS cc_start: 0.9319 (tptm) cc_final: 0.9038 (tptm) REVERT: J4 13 ASP cc_start: 0.8556 (m-30) cc_final: 0.8267 (m-30) REVERT: J6 1 MET cc_start: 0.6709 (tmm) cc_final: 0.6466 (tmm) REVERT: J7 9 LYS cc_start: 0.9234 (tppt) cc_final: 0.9023 (ttmm) REVERT: J8 9 LYS cc_start: 0.9164 (tptt) cc_final: 0.8545 (tptp) REVERT: J8 13 ASP cc_start: 0.8562 (m-30) cc_final: 0.7653 (m-30) REVERT: J9 6 LYS cc_start: 0.9367 (ptmt) cc_final: 0.9133 (ptpp) REVERT: KC 9 LYS cc_start: 0.9202 (tptt) cc_final: 0.8781 (tptm) REVERT: KC 13 ASP cc_start: 0.8690 (m-30) cc_final: 0.7831 (m-30) REVERT: KD 6 LYS cc_start: 0.9418 (ptpt) cc_final: 0.9008 (ptpp) REVERT: KD 11 PHE cc_start: 0.8979 (OUTLIER) cc_final: 0.8774 (m-10) REVERT: KD 21 ASN cc_start: 0.7434 (p0) cc_final: 0.7223 (p0) REVERT: KF 13 ASP cc_start: 0.8827 (t0) cc_final: 0.8167 (t0) REVERT: KG 2 GLU cc_start: 0.8697 (tp30) cc_final: 0.8184 (tp30) REVERT: KG 6 LYS cc_start: 0.9375 (mmtt) cc_final: 0.8819 (mmtm) REVERT: KH 1 MET cc_start: 0.7205 (mtm) cc_final: 0.6495 (mtm) REVERT: KJ 1 MET cc_start: 0.7204 (ptt) cc_final: 0.6945 (ptt) REVERT: KJ 2 GLU cc_start: 0.8424 (pm20) cc_final: 0.8138 (pm20) REVERT: KK 9 LYS cc_start: 0.9179 (tptt) cc_final: 0.8907 (tptm) REVERT: KK 13 ASP cc_start: 0.8653 (m-30) cc_final: 0.8145 (m-30) REVERT: KO 9 LYS cc_start: 0.9203 (tptt) cc_final: 0.8735 (tptm) REVERT: KO 13 ASP cc_start: 0.8559 (m-30) cc_final: 0.7746 (m-30) REVERT: KP 6 LYS cc_start: 0.9384 (ptmt) cc_final: 0.8965 (ptmt) REVERT: KP 12 LYS cc_start: 0.9380 (tmmt) cc_final: 0.9022 (tmmt) REVERT: KR 12 LYS cc_start: 0.9273 (ttpt) cc_final: 0.8782 (tppt) REVERT: KS 9 LYS cc_start: 0.9226 (tptm) cc_final: 0.8933 (tptm) REVERT: KS 13 ASP cc_start: 0.8736 (m-30) cc_final: 0.8424 (m-30) REVERT: KT 6 LYS cc_start: 0.9301 (ptpt) cc_final: 0.9062 (ptpp) REVERT: KV 13 ASP cc_start: 0.8998 (t0) cc_final: 0.8535 (t0) REVERT: KW 1 MET cc_start: 0.7724 (pmm) cc_final: 0.7043 (pmm) REVERT: KZ 9 LYS cc_start: 0.9289 (tppt) cc_final: 0.9068 (ttmm) REVERT: KZ 12 LYS cc_start: 0.9177 (tttm) cc_final: 0.8557 (tptp) REVERT: K0 2 GLU cc_start: 0.8859 (tp30) cc_final: 0.8511 (tp30) REVERT: K0 13 ASP cc_start: 0.8752 (m-30) cc_final: 0.8487 (m-30) REVERT: K1 1 MET cc_start: 0.7365 (mtm) cc_final: 0.6976 (mtm) REVERT: K1 6 LYS cc_start: 0.9376 (ptmt) cc_final: 0.8999 (ptpp) REVERT: K3 2 GLU cc_start: 0.8292 (pm20) cc_final: 0.7949 (pm20) REVERT: K3 9 LYS cc_start: 0.9293 (tppt) cc_final: 0.9048 (ttmm) REVERT: K3 12 LYS cc_start: 0.9194 (tttm) cc_final: 0.8828 (tppt) REVERT: K3 13 ASP cc_start: 0.8775 (t0) cc_final: 0.8118 (t0) REVERT: K4 2 GLU cc_start: 0.8769 (tp30) cc_final: 0.8289 (tp30) REVERT: K4 6 LYS cc_start: 0.9248 (mmtm) cc_final: 0.8918 (mmtp) REVERT: K5 6 LYS cc_start: 0.9190 (ptmt) cc_final: 0.8980 (ptpp) REVERT: K6 1 MET cc_start: 0.6611 (tmm) cc_final: 0.6251 (tmm) REVERT: K8 1 MET cc_start: 0.6976 (pmm) cc_final: 0.6751 (pmm) REVERT: K8 2 GLU cc_start: 0.8987 (tp30) cc_final: 0.8783 (tp30) REVERT: K9 21 ASN cc_start: 0.7346 (p0) cc_final: 0.7066 (p0) REVERT: LB 2 GLU cc_start: 0.8377 (pm20) cc_final: 0.7847 (pm20) REVERT: LB 13 ASP cc_start: 0.8864 (t0) cc_final: 0.8267 (t0) REVERT: LE 3 PHE cc_start: 0.9050 (m-80) cc_final: 0.8481 (m-80) REVERT: LF 2 GLU cc_start: 0.8191 (pm20) cc_final: 0.7840 (pm20) REVERT: LG 1 MET cc_start: 0.7221 (pmm) cc_final: 0.6451 (pmm) REVERT: LG 9 LYS cc_start: 0.9216 (tptt) cc_final: 0.8913 (tptt) REVERT: LK 2 GLU cc_start: 0.8914 (tp30) cc_final: 0.8302 (tp30) REVERT: LK 6 LYS cc_start: 0.9459 (mmtt) cc_final: 0.9163 (mmtt) REVERT: LK 13 ASP cc_start: 0.8682 (m-30) cc_final: 0.8470 (m-30) REVERT: LL 6 LYS cc_start: 0.9402 (ptmt) cc_final: 0.9140 (ptpp) REVERT: LL 12 LYS cc_start: 0.9327 (tmmt) cc_final: 0.9097 (tmmt) REVERT: LL 21 ASN cc_start: 0.7423 (p0) cc_final: 0.7213 (p0) REVERT: LM 9 LYS cc_start: 0.9415 (tppt) cc_final: 0.9212 (tppt) REVERT: LO 1 MET cc_start: 0.7637 (pmm) cc_final: 0.6607 (pmm) REVERT: LO 2 GLU cc_start: 0.8786 (tp30) cc_final: 0.8305 (tp30) REVERT: LO 9 LYS cc_start: 0.9222 (tptt) cc_final: 0.8976 (tptm) REVERT: LP 6 LYS cc_start: 0.9413 (ptmt) cc_final: 0.9147 (ptpp) REVERT: LR 2 GLU cc_start: 0.8166 (pm20) cc_final: 0.7864 (pm20) REVERT: LS 2 GLU cc_start: 0.8768 (tp30) cc_final: 0.8291 (tp30) REVERT: LS 9 LYS cc_start: 0.9205 (tptt) cc_final: 0.8964 (tptm) REVERT: LS 13 ASP cc_start: 0.8612 (m-30) cc_final: 0.8020 (m-30) REVERT: LT 1 MET cc_start: 0.7558 (mtm) cc_final: 0.6823 (mtm) REVERT: LT 12 LYS cc_start: 0.9388 (tmmt) cc_final: 0.9121 (tmmt) REVERT: LV 2 GLU cc_start: 0.8284 (pm20) cc_final: 0.8014 (pm20) REVERT: LX 6 LYS cc_start: 0.9342 (ptmt) cc_final: 0.9015 (ptpp) REVERT: LX 12 LYS cc_start: 0.9413 (tmmt) cc_final: 0.9054 (tmmt) REVERT: LY 18 PHE cc_start: 0.8827 (t80) cc_final: 0.8585 (t80) REVERT: LZ 12 LYS cc_start: 0.9150 (ttpt) cc_final: 0.8638 (tptp) REVERT: L4 9 LYS cc_start: 0.9232 (tptt) cc_final: 0.8771 (tptp) REVERT: L4 13 ASP cc_start: 0.8621 (m-30) cc_final: 0.7865 (m-30) REVERT: L5 1 MET cc_start: 0.7124 (mtm) cc_final: 0.6886 (mtm) REVERT: L5 21 ASN cc_start: 0.7709 (OUTLIER) cc_final: 0.7409 (p0) REVERT: L6 1 MET cc_start: 0.6982 (tmm) cc_final: 0.6593 (tmm) REVERT: L7 13 ASP cc_start: 0.9102 (t0) cc_final: 0.8502 (t0) REVERT: L8 9 LYS cc_start: 0.9271 (tptm) cc_final: 0.8904 (tptm) REVERT: L8 13 ASP cc_start: 0.8770 (m-30) cc_final: 0.8458 (m-30) REVERT: L9 6 LYS cc_start: 0.9360 (ptpt) cc_final: 0.9026 (ptmt) REVERT: L9 12 LYS cc_start: 0.9320 (tmmt) cc_final: 0.9005 (tmmt) REVERT: L9 13 ASP cc_start: 0.8878 (t0) cc_final: 0.8579 (t0) REVERT: MB 2 GLU cc_start: 0.8190 (pm20) cc_final: 0.7651 (pm20) REVERT: MC 2 GLU cc_start: 0.8955 (tp30) cc_final: 0.8366 (tp30) REVERT: MC 9 LYS cc_start: 0.9289 (tptt) cc_final: 0.8804 (tptm) REVERT: MC 13 ASP cc_start: 0.8690 (m-30) cc_final: 0.7938 (m-30) REVERT: MD 6 LYS cc_start: 0.9316 (ptmt) cc_final: 0.8990 (ptpp) REVERT: MD 12 LYS cc_start: 0.9411 (tmmt) cc_final: 0.9010 (tmmt) REVERT: MF 12 LYS cc_start: 0.9217 (ttpt) cc_final: 0.8683 (tppt) REVERT: MG 2 GLU cc_start: 0.8742 (tp30) cc_final: 0.8387 (tp30) REVERT: MH 6 LYS cc_start: 0.9241 (ptmt) cc_final: 0.8948 (ptpp) REVERT: MH 13 ASP cc_start: 0.8889 (t0) cc_final: 0.8624 (t0) REVERT: MJ 12 LYS cc_start: 0.9134 (OUTLIER) cc_final: 0.8572 (tppt) REVERT: MJ 13 ASP cc_start: 0.8974 (t0) cc_final: 0.8697 (t0) REVERT: ML 6 LYS cc_start: 0.9319 (ptpt) cc_final: 0.9072 (ptpp) REVERT: ML 9 LYS cc_start: 0.9300 (tttm) cc_final: 0.9076 (ttpt) REVERT: ML 12 LYS cc_start: 0.9387 (tmmt) cc_final: 0.9072 (tmmt) REVERT: MO 9 LYS cc_start: 0.9189 (tptt) cc_final: 0.8835 (tptp) REVERT: MO 13 ASP cc_start: 0.8656 (m-30) cc_final: 0.8063 (m-30) REVERT: MR 11 PHE cc_start: 0.9003 (m-10) cc_final: 0.8700 (m-80) REVERT: MS 9 LYS cc_start: 0.9253 (tptm) cc_final: 0.8797 (tptt) REVERT: MT 21 ASN cc_start: 0.7181 (p0) cc_final: 0.6833 (p0) REVERT: MX 12 LYS cc_start: 0.9327 (tmmt) cc_final: 0.9046 (tmmt) REVERT: M0 2 GLU cc_start: 0.8843 (tp30) cc_final: 0.8242 (tp30) REVERT: M0 6 LYS cc_start: 0.9165 (ttmm) cc_final: 0.8847 (mmtm) REVERT: M0 9 LYS cc_start: 0.9163 (tptt) cc_final: 0.8820 (tptp) REVERT: M0 13 ASP cc_start: 0.8650 (m-30) cc_final: 0.8127 (m-30) REVERT: M1 6 LYS cc_start: 0.9323 (ptmt) cc_final: 0.9021 (ptpp) REVERT: M3 1 MET cc_start: 0.7792 (ptm) cc_final: 0.7559 (ptm) REVERT: M4 13 ASP cc_start: 0.8667 (m-30) cc_final: 0.8319 (m-30) REVERT: M5 12 LYS cc_start: 0.9411 (tttm) cc_final: 0.9105 (tmmt) REVERT: M5 21 ASN cc_start: 0.7646 (p0) cc_final: 0.7416 (p0) REVERT: M6 1 MET cc_start: 0.7116 (tmm) cc_final: 0.6524 (tmm) REVERT: M7 11 PHE cc_start: 0.9137 (m-10) cc_final: 0.8927 (m-80) REVERT: M8 9 LYS cc_start: 0.9219 (tptt) cc_final: 0.8534 (tptm) REVERT: M8 13 ASP cc_start: 0.8719 (m-30) cc_final: 0.7722 (m-30) REVERT: M9 6 LYS cc_start: 0.9300 (ptpt) cc_final: 0.8997 (ptpp) REVERT: M9 13 ASP cc_start: 0.8971 (t0) cc_final: 0.8763 (t0) REVERT: M9 21 ASN cc_start: 0.7208 (p0) cc_final: 0.6857 (p0) REVERT: NB 12 LYS cc_start: 0.9272 (ttpt) cc_final: 0.8832 (tppt) REVERT: NC 9 LYS cc_start: 0.9312 (tptt) cc_final: 0.8988 (tptm) REVERT: NC 13 ASP cc_start: 0.8567 (m-30) cc_final: 0.7957 (m-30) REVERT: ND 6 LYS cc_start: 0.9342 (ptmt) cc_final: 0.9017 (ptpp) REVERT: NG 2 GLU cc_start: 0.8708 (tp30) cc_final: 0.8426 (tp30) REVERT: NK 1 MET cc_start: 0.7521 (pmm) cc_final: 0.6655 (pmm) REVERT: NK 9 LYS cc_start: 0.9205 (tptm) cc_final: 0.8918 (tptm) REVERT: NK 13 ASP cc_start: 0.8504 (m-30) cc_final: 0.8054 (m-30) REVERT: NL 13 ASP cc_start: 0.8915 (t0) cc_final: 0.8670 (t0) REVERT: NM 2 GLU cc_start: 0.8027 (OUTLIER) cc_final: 0.7721 (tm-30) REVERT: NO 2 GLU cc_start: 0.8943 (tp30) cc_final: 0.8343 (tp30) REVERT: NO 6 LYS cc_start: 0.9336 (mmtt) cc_final: 0.9026 (mmtt) REVERT: NO 9 LYS cc_start: 0.9218 (tptt) cc_final: 0.8729 (tptp) REVERT: NO 13 ASP cc_start: 0.8510 (m-30) cc_final: 0.7662 (m-30) REVERT: NO 18 PHE cc_start: 0.8811 (t80) cc_final: 0.8502 (t80) REVERT: NP 12 LYS cc_start: 0.9365 (tmmt) cc_final: 0.9141 (tmmt) REVERT: NR 2 GLU cc_start: 0.8302 (pm20) cc_final: 0.7929 (pm20) REVERT: NR 12 LYS cc_start: 0.9265 (ttpt) cc_final: 0.8741 (tppt) REVERT: NS 2 GLU cc_start: 0.8769 (tp30) cc_final: 0.8428 (tp30) REVERT: NS 9 LYS cc_start: 0.9185 (tptm) cc_final: 0.8901 (tptt) REVERT: NT 6 LYS cc_start: 0.9281 (ptmt) cc_final: 0.8911 (ptpp) REVERT: NT 9 LYS cc_start: 0.9344 (ttpt) cc_final: 0.9106 (ttmt) REVERT: NW 2 GLU cc_start: 0.8874 (tp30) cc_final: 0.8481 (tp30) REVERT: NX 1 MET cc_start: 0.7470 (mtm) cc_final: 0.7143 (mtm) REVERT: NX 12 LYS cc_start: 0.9334 (ttpt) cc_final: 0.9002 (tmmt) REVERT: NZ 1 MET cc_start: 0.7359 (ptt) cc_final: 0.7096 (ptt) REVERT: NZ 2 GLU cc_start: 0.8325 (pm20) cc_final: 0.8024 (pm20) REVERT: NZ 13 ASP cc_start: 0.9091 (t0) cc_final: 0.8594 (t0) REVERT: N0 1 MET cc_start: 0.7564 (pmm) cc_final: 0.6523 (pmm) REVERT: N0 2 GLU cc_start: 0.8886 (tp30) cc_final: 0.8578 (tp30) REVERT: N0 9 LYS cc_start: 0.9191 (tptt) cc_final: 0.8668 (tptm) REVERT: N0 13 ASP cc_start: 0.8590 (m-30) cc_final: 0.7630 (m-30) REVERT: N3 12 LYS cc_start: 0.9196 (tttm) cc_final: 0.8768 (tppt) REVERT: N5 11 PHE cc_start: 0.9036 (OUTLIER) cc_final: 0.8782 (m-80) REVERT: N8 9 LYS cc_start: 0.9158 (tptt) cc_final: 0.8858 (tptm) REVERT: N8 13 ASP cc_start: 0.8567 (m-30) cc_final: 0.8159 (m-30) REVERT: N9 12 LYS cc_start: 0.9281 (tmmt) cc_final: 0.9016 (tmmt) REVERT: N9 21 ASN cc_start: 0.7713 (p0) cc_final: 0.7432 (p0) REVERT: OB 2 GLU cc_start: 0.8573 (pm20) cc_final: 0.8316 (pm20) REVERT: OC 9 LYS cc_start: 0.9323 (tptm) cc_final: 0.9016 (tptm) REVERT: OC 13 ASP cc_start: 0.8728 (m-30) cc_final: 0.8414 (m-30) REVERT: OC 15 LEU cc_start: 0.8103 (OUTLIER) cc_final: 0.7618 (tt) REVERT: OD 1 MET cc_start: 0.7244 (mtm) cc_final: 0.6842 (mtm) REVERT: OD 6 LYS cc_start: 0.9202 (ptmt) cc_final: 0.8959 (ptpp) REVERT: OD 13 ASP cc_start: 0.8820 (t0) cc_final: 0.8490 (t0) REVERT: OE 9 LYS cc_start: 0.9416 (tppt) cc_final: 0.9009 (tppt) REVERT: OF 12 LYS cc_start: 0.9159 (tttm) cc_final: 0.8895 (tppt) REVERT: OG 9 LYS cc_start: 0.9143 (tptt) cc_final: 0.8888 (tptp) REVERT: OH 6 LYS cc_start: 0.9323 (ptmt) cc_final: 0.8950 (ptmt) REVERT: OH 21 ASN cc_start: 0.7307 (p0) cc_final: 0.6974 (p0) REVERT: OK 2 GLU cc_start: 0.8663 (tp30) cc_final: 0.8125 (tp30) REVERT: OK 6 LYS cc_start: 0.9347 (mttm) cc_final: 0.9024 (mttm) REVERT: OK 9 LYS cc_start: 0.9241 (tptm) cc_final: 0.8931 (tptt) REVERT: OM 10 PHE cc_start: 0.9125 (t80) cc_final: 0.8912 (t80) REVERT: OO 9 LYS cc_start: 0.9133 (tptt) cc_final: 0.8915 (tptt) REVERT: OO 13 ASP cc_start: 0.8586 (m-30) cc_final: 0.8147 (m-30) REVERT: OP 1 MET cc_start: 0.7142 (mtm) cc_final: 0.6903 (mtm) REVERT: OP 6 LYS cc_start: 0.9244 (ptmt) cc_final: 0.8958 (ptpp) REVERT: OR 12 LYS cc_start: 0.9257 (ttpt) cc_final: 0.8628 (tptp) REVERT: OR 13 ASP cc_start: 0.8957 (t0) cc_final: 0.8358 (t0) REVERT: OT 12 LYS cc_start: 0.9281 (tttm) cc_final: 0.9000 (tmmt) REVERT: OU 2 GLU cc_start: 0.7431 (tm-30) cc_final: 0.7207 (tm-30) REVERT: OU 10 PHE cc_start: 0.9158 (t80) cc_final: 0.8920 (t80) REVERT: OX 6 LYS cc_start: 0.9272 (ptmt) cc_final: 0.8997 (ptpp) REVERT: O0 2 GLU cc_start: 0.8391 (tp30) cc_final: 0.8080 (tp30) REVERT: O1 6 LYS cc_start: 0.9301 (ptmt) cc_final: 0.8920 (ptmt) REVERT: O1 12 LYS cc_start: 0.9316 (tmmt) cc_final: 0.9080 (tmmt) REVERT: O4 13 ASP cc_start: 0.8723 (m-30) cc_final: 0.8420 (m-30) REVERT: O4 17 LYS cc_start: 0.9165 (mtpp) cc_final: 0.8841 (mtpp) REVERT: O5 13 ASP cc_start: 0.8813 (t0) cc_final: 0.8400 (t0) REVERT: O6 9 LYS cc_start: 0.9352 (tppt) cc_final: 0.8751 (tppt) REVERT: O7 13 ASP cc_start: 0.9073 (t0) cc_final: 0.8709 (t0) REVERT: O8 2 GLU cc_start: 0.8743 (tp30) cc_final: 0.7995 (tp30) REVERT: O8 9 LYS cc_start: 0.9178 (tptt) cc_final: 0.8662 (tptt) REVERT: O8 13 ASP cc_start: 0.8560 (m-30) cc_final: 0.7724 (m-30) REVERT: O9 6 LYS cc_start: 0.9311 (ptmt) cc_final: 0.8901 (ptmt) REVERT: O9 21 ASN cc_start: 0.7108 (p0) cc_final: 0.6779 (p0) REVERT: PC 2 GLU cc_start: 0.8796 (tp30) cc_final: 0.8077 (tp30) REVERT: PC 6 LYS cc_start: 0.9153 (ttmm) cc_final: 0.8935 (mmtp) REVERT: PD 6 LYS cc_start: 0.9327 (ptmt) cc_final: 0.9002 (ptpp) REVERT: PD 9 LYS cc_start: 0.9408 (tttp) cc_final: 0.9196 (ttmt) REVERT: PE 3 PHE cc_start: 0.8914 (m-80) cc_final: 0.8612 (m-10) REVERT: PF 12 LYS cc_start: 0.9112 (tttt) cc_final: 0.8753 (tppt) REVERT: PK 2 GLU cc_start: 0.8726 (tp30) cc_final: 0.8418 (tp30) REVERT: PK 9 LYS cc_start: 0.9258 (tptm) cc_final: 0.8992 (tptm) REVERT: PK 13 ASP cc_start: 0.8746 (m-30) cc_final: 0.8471 (m-30) REVERT: PL 21 ASN cc_start: 0.7125 (p0) cc_final: 0.6802 (p0) REVERT: PO 2 GLU cc_start: 0.8801 (tp30) cc_final: 0.8483 (tp30) REVERT: PO 9 LYS cc_start: 0.9150 (tptt) cc_final: 0.8745 (tptt) REVERT: PP 6 LYS cc_start: 0.9276 (ptmt) cc_final: 0.9000 (ptpp) REVERT: PP 21 ASN cc_start: 0.7441 (p0) cc_final: 0.7192 (p0) REVERT: PS 13 ASP cc_start: 0.8817 (m-30) cc_final: 0.8544 (m-30) REVERT: PV 12 LYS cc_start: 0.9210 (tttm) cc_final: 0.8581 (tptp) REVERT: PV 13 ASP cc_start: 0.9063 (t0) cc_final: 0.8445 (t70) REVERT: PW 9 LYS cc_start: 0.9245 (tptt) cc_final: 0.8831 (tptm) REVERT: PW 13 ASP cc_start: 0.8498 (m-30) cc_final: 0.7689 (m-30) REVERT: PX 6 LYS cc_start: 0.9298 (ptmt) cc_final: 0.8989 (ptpp) REVERT: PZ 12 LYS cc_start: 0.9288 (ttpt) cc_final: 0.8916 (tppt) REVERT: P0 9 LYS cc_start: 0.9233 (tptt) cc_final: 0.8918 (tptm) REVERT: P0 13 ASP cc_start: 0.8576 (m-30) cc_final: 0.7784 (m-30) REVERT: P1 6 LYS cc_start: 0.9397 (ptpt) cc_final: 0.9174 (ptpp) REVERT: P1 21 ASN cc_start: 0.7311 (p0) cc_final: 0.6993 (p0) REVERT: P3 9 LYS cc_start: 0.9344 (tppt) cc_final: 0.9079 (ttmm) REVERT: P3 12 LYS cc_start: 0.9064 (tttt) cc_final: 0.8824 (tppt) REVERT: P4 2 GLU cc_start: 0.8894 (tp30) cc_final: 0.8443 (tp30) REVERT: P5 6 LYS cc_start: 0.9243 (ptmt) cc_final: 0.9007 (ptpp) REVERT: P5 12 LYS cc_start: 0.9366 (tmmt) cc_final: 0.9090 (tmmt) REVERT: P7 12 LYS cc_start: 0.9170 (ttpt) cc_final: 0.8676 (tppt) REVERT: P8 2 GLU cc_start: 0.8694 (tp30) cc_final: 0.8446 (tp30) REVERT: P8 13 ASP cc_start: 0.8617 (m-30) cc_final: 0.8340 (m-30) REVERT: P9 1 MET cc_start: 0.7417 (mtm) cc_final: 0.7098 (mtm) REVERT: P9 6 LYS cc_start: 0.9327 (ptmt) cc_final: 0.9115 (ptpp) REVERT: QC 2 GLU cc_start: 0.8835 (tp30) cc_final: 0.8082 (tp30) REVERT: QC 9 LYS cc_start: 0.9260 (tptt) cc_final: 0.8891 (tptm) REVERT: QC 13 ASP cc_start: 0.8490 (m-30) cc_final: 0.7877 (m-30) REVERT: QD 6 LYS cc_start: 0.9291 (ptmt) cc_final: 0.9040 (ptpp) REVERT: QF 12 LYS cc_start: 0.9239 (tttm) cc_final: 0.8789 (tppt) REVERT: QG 9 LYS cc_start: 0.9279 (tptt) cc_final: 0.8805 (tptm) REVERT: QG 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.7845 (m-30) REVERT: QH 6 LYS cc_start: 0.9360 (ptmt) cc_final: 0.9027 (ptpp) REVERT: QH 12 LYS cc_start: 0.9366 (tmmt) cc_final: 0.9027 (tmmt) REVERT: QK 2 GLU cc_start: 0.8788 (tp30) cc_final: 0.8509 (tp30) REVERT: QK 15 LEU cc_start: 0.8213 (OUTLIER) cc_final: 0.7968 (tp) REVERT: QO 2 GLU cc_start: 0.8981 (tp30) cc_final: 0.8605 (tp30) REVERT: QO 9 LYS cc_start: 0.9189 (tptt) cc_final: 0.8711 (tptt) REVERT: QO 13 ASP cc_start: 0.8450 (m-30) cc_final: 0.7766 (m-30) REVERT: QQ 1 MET cc_start: 0.7158 (tmm) cc_final: 0.6791 (tmm) REVERT: QQ 3 PHE cc_start: 0.8921 (m-80) cc_final: 0.8697 (m-80) REVERT: QT 6 LYS cc_start: 0.9373 (ptpt) cc_final: 0.8972 (ptmt) REVERT: QT 13 ASP cc_start: 0.8835 (t0) cc_final: 0.8438 (t0) REVERT: QT 21 ASN cc_start: 0.7321 (p0) cc_final: 0.7112 (p0) REVERT: QW 9 LYS cc_start: 0.9193 (tptt) cc_final: 0.8758 (tptm) REVERT: QW 13 ASP cc_start: 0.8696 (m-30) cc_final: 0.7979 (m-30) REVERT: QX 1 MET cc_start: 0.7357 (mtm) cc_final: 0.7124 (mtm) REVERT: QX 6 LYS cc_start: 0.9229 (ptmt) cc_final: 0.8751 (ptpp) REVERT: QX 13 ASP cc_start: 0.8806 (t0) cc_final: 0.8470 (t0) REVERT: QX 21 ASN cc_start: 0.7465 (p0) cc_final: 0.7134 (p0) REVERT: QZ 1 MET cc_start: 0.7218 (ptt) cc_final: 0.6929 (ptt) REVERT: Q0 9 LYS cc_start: 0.9275 (tptt) cc_final: 0.8975 (tptm) REVERT: Q1 1 MET cc_start: 0.7245 (mtm) cc_final: 0.7009 (mtm) REVERT: Q1 6 LYS cc_start: 0.9330 (ptmt) cc_final: 0.9110 (ptpp) REVERT: Q1 13 ASP cc_start: 0.8934 (t0) cc_final: 0.8611 (t0) REVERT: Q1 21 ASN cc_start: 0.7538 (p0) cc_final: 0.7209 (p0) REVERT: Q2 2 GLU cc_start: 0.8515 (tp30) cc_final: 0.8232 (tm-30) REVERT: Q3 2 GLU cc_start: 0.8419 (pm20) cc_final: 0.8194 (pm20) REVERT: Q4 2 GLU cc_start: 0.8909 (tp30) cc_final: 0.8369 (tp30) REVERT: Q4 6 LYS cc_start: 0.9411 (mmtt) cc_final: 0.9084 (mmtm) REVERT: Q4 9 LYS cc_start: 0.9203 (tptt) cc_final: 0.8970 (tptp) REVERT: Q6 3 PHE cc_start: 0.8989 (m-80) cc_final: 0.8717 (m-10) REVERT: Q7 2 GLU cc_start: 0.8367 (pm20) cc_final: 0.8133 (pm20) REVERT: Q7 12 LYS cc_start: 0.9175 (ttpt) cc_final: 0.8597 (tptp) REVERT: Q8 2 GLU cc_start: 0.8739 (tp30) cc_final: 0.7904 (tp30) REVERT: Q8 6 LYS cc_start: 0.9078 (ttmm) cc_final: 0.8854 (mmtp) REVERT: Q8 9 LYS cc_start: 0.9242 (tptt) cc_final: 0.8841 (tptt) REVERT: Q8 13 ASP cc_start: 0.8643 (m-30) cc_final: 0.8068 (m-30) REVERT: Q9 1 MET cc_start: 0.7601 (mtm) cc_final: 0.7345 (mtm) REVERT: RC 9 LYS cc_start: 0.9198 (tptt) cc_final: 0.8825 (tptp) REVERT: RC 13 ASP cc_start: 0.8618 (m-30) cc_final: 0.7456 (m-30) REVERT: RD 6 LYS cc_start: 0.9249 (ptmt) cc_final: 0.8999 (ptpp) REVERT: RD 21 ASN cc_start: 0.7274 (p0) cc_final: 0.7005 (p0) REVERT: RG 9 LYS cc_start: 0.9322 (tptt) cc_final: 0.9042 (tptm) REVERT: RG 13 ASP cc_start: 0.8599 (m-30) cc_final: 0.8109 (m-30) REVERT: RJ 2 GLU cc_start: 0.8319 (pm20) cc_final: 0.8078 (pm20) REVERT: RJ 12 LYS cc_start: 0.9101 (tttm) cc_final: 0.8681 (tptp) REVERT: RL 6 LYS cc_start: 0.9307 (ptpt) cc_final: 0.9014 (ptmt) REVERT: RL 13 ASP cc_start: 0.8920 (t0) cc_final: 0.8628 (t0) REVERT: RM 1 MET cc_start: 0.6500 (tmm) cc_final: 0.6166 (tmm) REVERT: RN 2 GLU cc_start: 0.8266 (pm20) cc_final: 0.8049 (pm20) REVERT: RN 13 ASP cc_start: 0.9002 (t0) cc_final: 0.8587 (t0) REVERT: RO 2 GLU cc_start: 0.8783 (tp30) cc_final: 0.8509 (tp30) REVERT: RO 13 ASP cc_start: 0.8692 (m-30) cc_final: 0.8182 (m-30) REVERT: RP 6 LYS cc_start: 0.9347 (ptmt) cc_final: 0.9107 (ptpp) REVERT: RR 12 LYS cc_start: 0.9201 (tttm) cc_final: 0.8628 (tppt) REVERT: RS 9 LYS cc_start: 0.9247 (tptt) cc_final: 0.9037 (tptm) REVERT: RT 6 LYS cc_start: 0.9398 (ptmt) cc_final: 0.9122 (ptpp) REVERT: RV 12 LYS cc_start: 0.9119 (tttt) cc_final: 0.8587 (tptp) REVERT: RV 13 ASP cc_start: 0.9088 (t0) cc_final: 0.8426 (t0) REVERT: RW 1 MET cc_start: 0.3223 (OUTLIER) cc_final: 0.2149 (mmt) REVERT: RW 9 LYS cc_start: 0.9335 (tptt) cc_final: 0.9013 (tptm) REVERT: RW 13 ASP cc_start: 0.8520 (m-30) cc_final: 0.7945 (m-30) REVERT: RX 21 ASN cc_start: 0.7290 (p0) cc_final: 0.7086 (p0) REVERT: RY 1 MET cc_start: 0.7140 (tmm) cc_final: 0.6491 (tmm) REVERT: R0 2 GLU cc_start: 0.8855 (tp30) cc_final: 0.8231 (tp30) REVERT: R0 6 LYS cc_start: 0.9371 (mmtt) cc_final: 0.9004 (mmtp) REVERT: R1 6 LYS cc_start: 0.9286 (ptmt) cc_final: 0.9022 (ptpp) REVERT: R1 12 LYS cc_start: 0.9314 (tmmt) cc_final: 0.9061 (tmmt) REVERT: R4 2 GLU cc_start: 0.8734 (tp30) cc_final: 0.8520 (tp30) REVERT: R4 6 LYS cc_start: 0.9360 (mmtm) cc_final: 0.9084 (mmtp) REVERT: R4 13 ASP cc_start: 0.8794 (m-30) cc_final: 0.8555 (m-30) REVERT: R5 6 LYS cc_start: 0.9293 (ptmt) cc_final: 0.9000 (ptmt) REVERT: R6 13 ASP cc_start: 0.9051 (t70) cc_final: 0.8846 (t0) REVERT: R8 9 LYS cc_start: 0.9240 (tptm) cc_final: 0.8632 (tptp) REVERT: R8 13 ASP cc_start: 0.8675 (m-30) cc_final: 0.7869 (m-30) REVERT: R8 18 PHE cc_start: 0.8826 (t80) cc_final: 0.8411 (t80) REVERT: SB 12 LYS cc_start: 0.9190 (ttpt) cc_final: 0.8566 (tptp) REVERT: SC 2 GLU cc_start: 0.8718 (tp30) cc_final: 0.8048 (tp30) REVERT: SC 6 LYS cc_start: 0.9017 (ttmm) cc_final: 0.8792 (mmtp) REVERT: SC 9 LYS cc_start: 0.9266 (tptt) cc_final: 0.8870 (tptm) REVERT: SC 13 ASP cc_start: 0.8579 (m-30) cc_final: 0.8022 (m-30) REVERT: SD 6 LYS cc_start: 0.9291 (ptmt) cc_final: 0.8911 (ptpp) REVERT: SG 2 GLU cc_start: 0.9000 (tp30) cc_final: 0.8364 (tp30) REVERT: SG 6 LYS cc_start: 0.9411 (mmtt) cc_final: 0.9178 (mmtt) REVERT: SG 9 LYS cc_start: 0.9278 (tptm) cc_final: 0.9008 (tptt) REVERT: SI 9 LYS cc_start: 0.9448 (tppt) cc_final: 0.9098 (tppt) REVERT: SJ 2 GLU cc_start: 0.8500 (pm20) cc_final: 0.8287 (pm20) REVERT: SK 2 GLU cc_start: 0.8741 (tp30) cc_final: 0.7911 (tp30) REVERT: SK 6 LYS cc_start: 0.9324 (mmtm) cc_final: 0.8916 (mtpp) REVERT: SL 6 LYS cc_start: 0.9207 (ptmt) cc_final: 0.8913 (ptpp) REVERT: SO 2 GLU cc_start: 0.8802 (tp30) cc_final: 0.8291 (tp30) REVERT: SO 6 LYS cc_start: 0.9238 (mmtp) cc_final: 0.9010 (mmtp) REVERT: SP 11 PHE cc_start: 0.9057 (OUTLIER) cc_final: 0.8678 (m-80) REVERT: SS 2 GLU cc_start: 0.8740 (tp30) cc_final: 0.8439 (tp30) REVERT: SV 12 LYS cc_start: 0.9285 (ttpt) cc_final: 0.8893 (tppt) REVERT: SW 13 ASP cc_start: 0.8726 (m-30) cc_final: 0.8483 (m-30) REVERT: SX 6 LYS cc_start: 0.9203 (ptmt) cc_final: 0.8970 (ptpp) REVERT: S0 2 GLU cc_start: 0.8904 (tp30) cc_final: 0.8599 (tp30) REVERT: S0 9 LYS cc_start: 0.9090 (tptt) cc_final: 0.8783 (tptm) REVERT: S0 13 ASP cc_start: 0.8575 (m-30) cc_final: 0.7863 (m-30) REVERT: S0 18 PHE cc_start: 0.8831 (t80) cc_final: 0.8629 (t80) REVERT: S1 6 LYS cc_start: 0.9351 (ptpt) cc_final: 0.8925 (ptmt) REVERT: S4 2 GLU cc_start: 0.8808 (tp30) cc_final: 0.8360 (tp30) REVERT: S4 6 LYS cc_start: 0.9285 (mmtp) cc_final: 0.9064 (mmtp) REVERT: S4 13 ASP cc_start: 0.8595 (m-30) cc_final: 0.8215 (m-30) REVERT: S5 6 LYS cc_start: 0.9350 (ptmt) cc_final: 0.9044 (ptpt) REVERT: S5 21 ASN cc_start: 0.7454 (p0) cc_final: 0.7206 (p0) REVERT: S7 11 PHE cc_start: 0.9085 (m-10) cc_final: 0.8881 (m-80) REVERT: S7 13 ASP cc_start: 0.8922 (t0) cc_final: 0.8350 (t0) REVERT: S9 1 MET cc_start: 0.7438 (mtm) cc_final: 0.7183 (mtm) REVERT: S9 6 LYS cc_start: 0.9190 (OUTLIER) cc_final: 0.8810 (ptpp) REVERT: TA 2 GLU cc_start: 0.7490 (tm-30) cc_final: 0.7089 (tm-30) REVERT: TA 9 LYS cc_start: 0.9356 (tppt) cc_final: 0.9139 (tppt) REVERT: TA 13 ASP cc_start: 0.8952 (t70) cc_final: 0.8711 (p0) REVERT: TB 9 LYS cc_start: 0.9279 (tppt) cc_final: 0.9063 (ttmm) REVERT: TE 9 LYS cc_start: 0.9429 (tppt) cc_final: 0.9124 (tppt) REVERT: TF 12 LYS cc_start: 0.9209 (tttm) cc_final: 0.8808 (tppt) REVERT: TG 9 LYS cc_start: 0.9282 (tptt) cc_final: 0.9038 (tptm) REVERT: TH 21 ASN cc_start: 0.7308 (p0) cc_final: 0.6997 (p0) REVERT: TJ 9 LYS cc_start: 0.9231 (tppt) cc_final: 0.8965 (ttmm) REVERT: TJ 12 LYS cc_start: 0.9025 (tttm) cc_final: 0.8741 (tppt) REVERT: TK 2 GLU cc_start: 0.8655 (tp30) cc_final: 0.8094 (tp30) REVERT: TK 6 LYS cc_start: 0.9263 (mttm) cc_final: 0.9005 (mmtm) REVERT: TK 9 LYS cc_start: 0.9266 (tptt) cc_final: 0.8907 (tptt) REVERT: TK 12 LYS cc_start: 0.9108 (ttmt) cc_final: 0.8822 (mptt) REVERT: TL 6 LYS cc_start: 0.9315 (ptmt) cc_final: 0.8939 (ptpp) REVERT: TM 1 MET cc_start: 0.7369 (tmm) cc_final: 0.6806 (tmm) REVERT: TN 12 LYS cc_start: 0.9031 (tttm) cc_final: 0.8814 (tptt) REVERT: TO 2 GLU cc_start: 0.8832 (tp30) cc_final: 0.8612 (tp30) REVERT: TO 12 LYS cc_start: 0.9175 (ttmt) cc_final: 0.8939 (mptt) REVERT: TO 13 ASP cc_start: 0.8697 (m-30) cc_final: 0.8007 (m-30) REVERT: TO 17 LYS cc_start: 0.9166 (mtpp) cc_final: 0.8893 (mtpp) REVERT: TP 13 ASP cc_start: 0.8775 (t0) cc_final: 0.8531 (t70) REVERT: TQ 1 MET cc_start: 0.7040 (tmm) cc_final: 0.6377 (tmm) REVERT: TR 12 LYS cc_start: 0.9118 (tttm) cc_final: 0.8753 (tppt) REVERT: TS 6 LYS cc_start: 0.9295 (mmtm) cc_final: 0.8938 (mmtp) REVERT: TS 9 LYS cc_start: 0.9217 (tptt) cc_final: 0.8765 (tptm) REVERT: TS 12 LYS cc_start: 0.9152 (ttmt) cc_final: 0.8841 (mptt) REVERT: TS 13 ASP cc_start: 0.8529 (m-30) cc_final: 0.7668 (m-30) REVERT: TT 1 MET cc_start: 0.7117 (mtm) cc_final: 0.6855 (mtm) REVERT: TT 6 LYS cc_start: 0.9325 (ptpt) cc_final: 0.8835 (ptpp) REVERT: TT 12 LYS cc_start: 0.9457 (tmmt) cc_final: 0.9139 (tmmt) REVERT: TU 1 MET cc_start: 0.6965 (tmm) cc_final: 0.6582 (tmm) REVERT: TV 9 LYS cc_start: 0.9272 (tppt) cc_final: 0.9044 (ttmm) REVERT: TV 12 LYS cc_start: 0.9056 (tttm) cc_final: 0.8650 (tppt) REVERT: TW 9 LYS cc_start: 0.9190 (tptt) cc_final: 0.8912 (tptm) REVERT: TW 12 LYS cc_start: 0.9150 (ttmt) cc_final: 0.8859 (mptt) REVERT: TW 13 ASP cc_start: 0.8614 (m-30) cc_final: 0.8071 (m-30) REVERT: TX 1 MET cc_start: 0.7015 (mtm) cc_final: 0.6719 (mtm) REVERT: TX 6 LYS cc_start: 0.9339 (ptmt) cc_final: 0.9123 (ptpp) REVERT: TX 9 LYS cc_start: 0.9303 (OUTLIER) cc_final: 0.9099 (mtpp) REVERT: TZ 12 LYS cc_start: 0.9092 (tttm) cc_final: 0.8876 (tptt) REVERT: T0 2 GLU cc_start: 0.8814 (tp30) cc_final: 0.8256 (tp30) REVERT: T0 12 LYS cc_start: 0.9154 (ttmt) cc_final: 0.8805 (mptt) REVERT: T3 12 LYS cc_start: 0.9134 (tttm) cc_final: 0.8835 (tppt) REVERT: T4 9 LYS cc_start: 0.9339 (tptt) cc_final: 0.9001 (tptp) REVERT: T4 13 ASP cc_start: 0.8501 (m-30) cc_final: 0.7786 (m-30) REVERT: T5 6 LYS cc_start: 0.9319 (ptpt) cc_final: 0.9089 (ptpp) REVERT: T5 12 LYS cc_start: 0.9425 (tmmt) cc_final: 0.9134 (tmmt) REVERT: T5 21 ASN cc_start: 0.7180 (p0) cc_final: 0.6795 (p0) REVERT: T7 12 LYS cc_start: 0.9122 (tttm) cc_final: 0.8820 (tppt) REVERT: T8 2 GLU cc_start: 0.8655 (tp30) cc_final: 0.8387 (tp30) REVERT: T8 9 LYS cc_start: 0.9210 (tptt) cc_final: 0.8785 (tptm) REVERT: T8 12 LYS cc_start: 0.9162 (ttmt) cc_final: 0.8896 (mptt) REVERT: T8 13 ASP cc_start: 0.8465 (m-30) cc_final: 0.7769 (m-30) REVERT: T9 6 LYS cc_start: 0.9278 (ptmt) cc_final: 0.8955 (ptpp) REVERT: UB 12 LYS cc_start: 0.9112 (tttm) cc_final: 0.8829 (tppt) REVERT: UB 13 ASP cc_start: 0.9071 (t0) cc_final: 0.8385 (t0) REVERT: UC 2 GLU cc_start: 0.8824 (tp30) cc_final: 0.8202 (tp30) REVERT: UC 9 LYS cc_start: 0.9195 (tptm) cc_final: 0.8686 (tptm) REVERT: UC 12 LYS cc_start: 0.9132 (ttmt) cc_final: 0.8797 (mptt) REVERT: UD 12 LYS cc_start: 0.9350 (ttpt) cc_final: 0.9024 (tmmt) REVERT: UD 21 ASN cc_start: 0.7288 (p0) cc_final: 0.7004 (p0) REVERT: UF 12 LYS cc_start: 0.9301 (tttm) cc_final: 0.8866 (tppt) REVERT: UG 2 GLU cc_start: 0.8855 (tp30) cc_final: 0.8643 (tp30) REVERT: UG 9 LYS cc_start: 0.9172 (tptm) cc_final: 0.8390 (tptt) REVERT: UG 12 LYS cc_start: 0.9108 (ttmt) cc_final: 0.8803 (mptt) REVERT: UG 13 ASP cc_start: 0.8606 (m-30) cc_final: 0.7539 (m-30) REVERT: UH 6 LYS cc_start: 0.9295 (ptmt) cc_final: 0.8957 (ptpp) REVERT: UI 1 MET cc_start: 0.6925 (tmm) cc_final: 0.6592 (tmm) REVERT: UI 2 GLU cc_start: 0.7506 (tm-30) cc_final: 0.7235 (tm-30) REVERT: UJ 12 LYS cc_start: 0.9068 (tttm) cc_final: 0.8583 (tppt) REVERT: UK 2 GLU cc_start: 0.8620 (tp30) cc_final: 0.8170 (tp30) REVERT: UK 9 LYS cc_start: 0.9279 (tptt) cc_final: 0.8763 (tptt) REVERT: UK 13 ASP cc_start: 0.8607 (m-30) cc_final: 0.7640 (m-30) REVERT: UL 1 MET cc_start: 0.7371 (mtm) cc_final: 0.7112 (mtm) REVERT: UL 11 PHE cc_start: 0.9051 (OUTLIER) cc_final: 0.8826 (m-80) REVERT: UL 21 ASN cc_start: 0.7621 (p0) cc_final: 0.7387 (p0) REVERT: UM 9 LYS cc_start: 0.9432 (tppt) cc_final: 0.9030 (tppt) REVERT: UN 12 LYS cc_start: 0.9348 (tttm) cc_final: 0.8900 (tppt) REVERT: UO 2 GLU cc_start: 0.8743 (tp30) cc_final: 0.8051 (tp30) REVERT: UO 6 LYS cc_start: 0.9300 (mmtt) cc_final: 0.8975 (mmtp) REVERT: UP 12 LYS cc_start: 0.9383 (tmmt) cc_final: 0.9102 (tmmt) REVERT: US 9 LYS cc_start: 0.9160 (tptt) cc_final: 0.8814 (tptm) REVERT: US 13 ASP cc_start: 0.8491 (m-30) cc_final: 0.7961 (m-30) REVERT: UT 6 LYS cc_start: 0.9239 (ptmt) cc_final: 0.9001 (ptpp) REVERT: UU 1 MET cc_start: 0.6676 (tmm) cc_final: 0.6426 (tmm) REVERT: UV 12 LYS cc_start: 0.9145 (tttm) cc_final: 0.8940 (tppt) REVERT: UV 13 ASP cc_start: 0.8936 (t0) cc_final: 0.8517 (t0) outliers start: 617 outliers final: 271 residues processed: 6161 average time/residue: 1.3121 time to fit residues: 13805.5189 Evaluate side-chains 5470 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 293 poor density : 5177 time to evaluate : 13.189 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain C residue 4 VAL Chi-restraints excluded: chain G residue 4 VAL Chi-restraints excluded: chain K residue 4 VAL Chi-restraints excluded: chain O residue 4 VAL Chi-restraints excluded: chain R residue 11 PHE Chi-restraints excluded: chain R residue 12 LYS Chi-restraints excluded: chain S residue 4 VAL Chi-restraints excluded: chain W residue 4 VAL Chi-restraints excluded: chain X residue 12 LYS Chi-restraints excluded: chain Z residue 22 ASN Chi-restraints excluded: chain 0 residue 4 VAL Chi-restraints excluded: chain 3 residue 11 PHE Chi-restraints excluded: chain 7 residue 22 ASN Chi-restraints excluded: chain 8 residue 4 VAL Chi-restraints excluded: chain d residue 15 LEU Chi-restraints excluded: chain d residue 19 LEU Chi-restraints excluded: chain e residue 15 LEU Chi-restraints excluded: chain f residue 22 ASN Chi-restraints excluded: chain k residue 2 GLU Chi-restraints excluded: chain m residue 4 VAL Chi-restraints excluded: chain m residue 15 LEU Chi-restraints excluded: chain n residue 12 LYS Chi-restraints excluded: chain o residue 2 GLU Chi-restraints excluded: chain s residue 4 VAL Chi-restraints excluded: chain w residue 4 VAL Chi-restraints excluded: chain AA residue 4 VAL Chi-restraints excluded: chain AE residue 4 VAL Chi-restraints excluded: chain AI residue 4 VAL Chi-restraints excluded: chain AQ residue 4 VAL Chi-restraints excluded: chain AT residue 9 LYS Chi-restraints excluded: chain AY residue 4 VAL Chi-restraints excluded: chain A2 residue 4 VAL Chi-restraints excluded: chain A5 residue 11 PHE Chi-restraints excluded: chain A6 residue 4 VAL Chi-restraints excluded: chain BA residue 4 VAL Chi-restraints excluded: chain BC residue 15 LEU Chi-restraints excluded: chain BD residue 11 PHE Chi-restraints excluded: chain BE residue 4 VAL Chi-restraints excluded: chain BH residue 22 ASN Chi-restraints excluded: chain BI residue 4 VAL Chi-restraints excluded: chain BL residue 22 ASN Chi-restraints excluded: chain BM residue 4 VAL Chi-restraints excluded: chain BN residue 12 LYS Chi-restraints excluded: chain BQ residue 4 VAL Chi-restraints excluded: chain BU residue 4 VAL Chi-restraints excluded: chain BX residue 9 LYS Chi-restraints excluded: chain BY residue 4 VAL Chi-restraints excluded: chain B0 residue 1 MET Chi-restraints excluded: chain B6 residue 2 GLU Chi-restraints excluded: chain B6 residue 4 VAL Chi-restraints excluded: chain CA residue 4 VAL Chi-restraints excluded: chain CE residue 4 VAL Chi-restraints excluded: chain CI residue 4 VAL Chi-restraints excluded: chain CL residue 11 PHE Chi-restraints excluded: chain CO residue 17 LYS Chi-restraints excluded: chain CQ residue 4 VAL Chi-restraints excluded: chain CU residue 1 MET Chi-restraints excluded: chain C2 residue 4 VAL Chi-restraints excluded: chain C6 residue 4 VAL Chi-restraints excluded: chain DA residue 4 VAL Chi-restraints excluded: chain DB residue 15 LEU Chi-restraints excluded: chain DD residue 11 PHE Chi-restraints excluded: chain DE residue 4 VAL Chi-restraints excluded: chain DI residue 4 VAL Chi-restraints excluded: chain DL residue 12 LYS Chi-restraints excluded: chain DM residue 4 VAL Chi-restraints excluded: chain DQ residue 4 VAL Chi-restraints excluded: chain DT residue 11 PHE Chi-restraints excluded: chain DT residue 22 ASN Chi-restraints excluded: chain DU residue 4 VAL Chi-restraints excluded: chain DY residue 4 VAL Chi-restraints excluded: chain D1 residue 22 ASN Chi-restraints excluded: chain D5 residue 14 LEU Chi-restraints excluded: chain D6 residue 2 GLU Chi-restraints excluded: chain D6 residue 4 VAL Chi-restraints excluded: chain EA residue 4 VAL Chi-restraints excluded: chain ED residue 14 LEU Chi-restraints excluded: chain EE residue 4 VAL Chi-restraints excluded: chain EI residue 1 MET Chi-restraints excluded: chain EI residue 4 VAL Chi-restraints excluded: chain EL residue 11 PHE Chi-restraints excluded: chain EM residue 4 VAL Chi-restraints excluded: chain EP residue 22 ASN Chi-restraints excluded: chain EQ residue 1 MET Chi-restraints excluded: chain EQ residue 4 VAL Chi-restraints excluded: chain ES residue 15 LEU Chi-restraints excluded: chain EU residue 1 MET Chi-restraints excluded: chain EU residue 14 LEU Chi-restraints excluded: chain EX residue 11 PHE Chi-restraints excluded: chain EX residue 22 ASN Chi-restraints excluded: chain EY residue 4 VAL Chi-restraints excluded: chain E1 residue 11 PHE Chi-restraints excluded: chain E2 residue 4 VAL Chi-restraints excluded: chain E9 residue 11 PHE Chi-restraints excluded: chain FA residue 4 VAL Chi-restraints excluded: chain FD residue 11 PHE Chi-restraints excluded: chain FD residue 12 LYS Chi-restraints excluded: chain FE residue 4 VAL Chi-restraints excluded: chain FG residue 15 LEU Chi-restraints excluded: chain FI residue 4 VAL Chi-restraints excluded: chain FQ residue 4 VAL Chi-restraints excluded: chain FW residue 15 LEU Chi-restraints excluded: chain FY residue 4 VAL Chi-restraints excluded: chain F0 residue 1 MET Chi-restraints excluded: chain F6 residue 4 VAL Chi-restraints excluded: chain GE residue 4 VAL Chi-restraints excluded: chain GQ residue 4 VAL Chi-restraints excluded: chain GT residue 11 PHE Chi-restraints excluded: chain GU residue 4 VAL Chi-restraints excluded: chain GY residue 4 VAL Chi-restraints excluded: chain G2 residue 4 VAL Chi-restraints excluded: chain G5 residue 12 LYS Chi-restraints excluded: chain G5 residue 22 ASN Chi-restraints excluded: chain G6 residue 4 VAL Chi-restraints excluded: chain HA residue 13 ASP Chi-restraints excluded: chain HB residue 19 LEU Chi-restraints excluded: chain HE residue 4 VAL Chi-restraints excluded: chain HH residue 11 PHE Chi-restraints excluded: chain HI residue 4 VAL Chi-restraints excluded: chain HL residue 22 ASN Chi-restraints excluded: chain HM residue 4 VAL Chi-restraints excluded: chain HQ residue 4 VAL Chi-restraints excluded: chain HU residue 4 VAL Chi-restraints excluded: chain HX residue 11 PHE Chi-restraints excluded: chain HY residue 4 VAL Chi-restraints excluded: chain H0 residue 15 LEU Chi-restraints excluded: chain H2 residue 4 VAL Chi-restraints excluded: chain H6 residue 4 VAL Chi-restraints excluded: chain H9 residue 11 PHE Chi-restraints excluded: chain IA residue 4 VAL Chi-restraints excluded: chain IC residue 18 PHE Chi-restraints excluded: chain ID residue 12 LYS Chi-restraints excluded: chain IE residue 4 VAL Chi-restraints excluded: chain II residue 4 VAL Chi-restraints excluded: chain IM residue 4 VAL Chi-restraints excluded: chain IQ residue 4 VAL Chi-restraints excluded: chain IT residue 12 LYS Chi-restraints excluded: chain IU residue 4 VAL Chi-restraints excluded: chain IX residue 22 ASN Chi-restraints excluded: chain IY residue 13 ASP Chi-restraints excluded: chain I2 residue 4 VAL Chi-restraints excluded: chain I6 residue 4 VAL Chi-restraints excluded: chain JE residue 4 VAL Chi-restraints excluded: chain JH residue 22 ASN Chi-restraints excluded: chain JI residue 4 VAL Chi-restraints excluded: chain JL residue 11 PHE Chi-restraints excluded: chain JN residue 1 MET Chi-restraints excluded: chain JO residue 15 LEU Chi-restraints excluded: chain JQ residue 4 VAL Chi-restraints excluded: chain JU residue 4 VAL Chi-restraints excluded: chain JV residue 12 LYS Chi-restraints excluded: chain JX residue 12 LYS Chi-restraints excluded: chain JX residue 22 ASN Chi-restraints excluded: chain JY residue 4 VAL Chi-restraints excluded: chain J1 residue 11 PHE Chi-restraints excluded: chain J2 residue 4 VAL Chi-restraints excluded: chain J6 residue 4 VAL Chi-restraints excluded: chain KA residue 4 VAL Chi-restraints excluded: chain KD residue 11 PHE Chi-restraints excluded: chain KE residue 4 VAL Chi-restraints excluded: chain KH residue 22 ASN Chi-restraints excluded: chain KI residue 1 MET Chi-restraints excluded: chain KI residue 4 VAL Chi-restraints excluded: chain KJ residue 12 LYS Chi-restraints excluded: chain KM residue 4 VAL Chi-restraints excluded: chain KQ residue 4 VAL Chi-restraints excluded: chain KU residue 4 VAL Chi-restraints excluded: chain K4 residue 15 LEU Chi-restraints excluded: chain K6 residue 4 VAL Chi-restraints excluded: chain K9 residue 11 PHE Chi-restraints excluded: chain LA residue 4 VAL Chi-restraints excluded: chain LE residue 4 VAL Chi-restraints excluded: chain LH residue 11 PHE Chi-restraints excluded: chain LI residue 4 VAL Chi-restraints excluded: chain LL residue 11 PHE Chi-restraints excluded: chain LM residue 4 VAL Chi-restraints excluded: chain LQ residue 4 VAL Chi-restraints excluded: chain LT residue 11 PHE Chi-restraints excluded: chain LU residue 4 VAL Chi-restraints excluded: chain LY residue 4 VAL Chi-restraints excluded: chain LZ residue 15 LEU Chi-restraints excluded: chain L0 residue 15 LEU Chi-restraints excluded: chain L2 residue 4 VAL Chi-restraints excluded: chain L5 residue 21 ASN Chi-restraints excluded: chain L6 residue 4 VAL Chi-restraints excluded: chain MA residue 4 VAL Chi-restraints excluded: chain MD residue 11 PHE Chi-restraints excluded: chain MG residue 1 MET Chi-restraints excluded: chain MI residue 4 VAL Chi-restraints excluded: chain MJ residue 12 LYS Chi-restraints excluded: chain MK residue 18 PHE Chi-restraints excluded: chain ML residue 22 ASN Chi-restraints excluded: chain MN residue 19 LEU Chi-restraints excluded: chain MQ residue 4 VAL Chi-restraints excluded: chain MS residue 1 MET Chi-restraints excluded: chain MU residue 4 VAL Chi-restraints excluded: chain MY residue 4 VAL Chi-restraints excluded: chain MY residue 13 ASP Chi-restraints excluded: chain M2 residue 4 VAL Chi-restraints excluded: chain M6 residue 4 VAL Chi-restraints excluded: chain NA residue 4 VAL Chi-restraints excluded: chain NI residue 4 VAL Chi-restraints excluded: chain NL residue 12 LYS Chi-restraints excluded: chain NM residue 2 GLU Chi-restraints excluded: chain NM residue 4 VAL Chi-restraints excluded: chain NP residue 22 ASN Chi-restraints excluded: chain NQ residue 4 VAL Chi-restraints excluded: chain NT residue 11 PHE Chi-restraints excluded: chain NU residue 4 VAL Chi-restraints excluded: chain NY residue 4 VAL Chi-restraints excluded: chain N1 residue 11 PHE Chi-restraints excluded: chain N1 residue 22 ASN Chi-restraints excluded: chain N2 residue 4 VAL Chi-restraints excluded: chain N5 residue 11 PHE Chi-restraints excluded: chain N6 residue 4 VAL Chi-restraints excluded: chain OA residue 4 VAL Chi-restraints excluded: chain OC residue 15 LEU Chi-restraints excluded: chain OE residue 4 VAL Chi-restraints excluded: chain OI residue 4 VAL Chi-restraints excluded: chain OL residue 11 PHE Chi-restraints excluded: chain OM residue 4 VAL Chi-restraints excluded: chain OQ residue 4 VAL Chi-restraints excluded: chain OT residue 11 PHE Chi-restraints excluded: chain OU residue 4 VAL Chi-restraints excluded: chain OX residue 11 PHE Chi-restraints excluded: chain OY residue 4 VAL Chi-restraints excluded: chain O1 residue 22 ASN Chi-restraints excluded: chain O2 residue 4 VAL Chi-restraints excluded: chain PA residue 4 VAL Chi-restraints excluded: chain PD residue 22 ASN Chi-restraints excluded: chain PE residue 4 VAL Chi-restraints excluded: chain PI residue 4 VAL Chi-restraints excluded: chain PL residue 11 PHE Chi-restraints excluded: chain PQ residue 4 VAL Chi-restraints excluded: chain PU residue 4 VAL Chi-restraints excluded: chain PY residue 4 VAL Chi-restraints excluded: chain P0 residue 15 LEU Chi-restraints excluded: chain P2 residue 4 VAL Chi-restraints excluded: chain P6 residue 4 VAL Chi-restraints excluded: chain QA residue 4 VAL Chi-restraints excluded: chain QE residue 4 VAL Chi-restraints excluded: chain QK residue 15 LEU Chi-restraints excluded: chain QQ residue 4 VAL Chi-restraints excluded: chain QR residue 15 LEU Chi-restraints excluded: chain QU residue 4 VAL Chi-restraints excluded: chain QY residue 4 VAL Chi-restraints excluded: chain Q2 residue 4 VAL Chi-restraints excluded: chain Q5 residue 22 ASN Chi-restraints excluded: chain Q9 residue 11 PHE Chi-restraints excluded: chain RA residue 4 VAL Chi-restraints excluded: chain RH residue 11 PHE Chi-restraints excluded: chain RI residue 4 VAL Chi-restraints excluded: chain RL residue 11 PHE Chi-restraints excluded: chain RQ residue 4 VAL Chi-restraints excluded: chain RW residue 1 MET Chi-restraints excluded: chain RX residue 11 PHE Chi-restraints excluded: chain RY residue 4 VAL Chi-restraints excluded: chain R2 residue 4 VAL Chi-restraints excluded: chain R2 residue 14 LEU Chi-restraints excluded: chain R5 residue 11 PHE Chi-restraints excluded: chain R6 residue 4 VAL Chi-restraints excluded: chain SA residue 4 VAL Chi-restraints excluded: chain SE residue 1 MET Chi-restraints excluded: chain SE residue 4 VAL Chi-restraints excluded: chain SI residue 4 VAL Chi-restraints excluded: chain SM residue 4 VAL Chi-restraints excluded: chain SP residue 11 PHE Chi-restraints excluded: chain SQ residue 4 VAL Chi-restraints excluded: chain SY residue 4 VAL Chi-restraints excluded: chain S2 residue 4 VAL Chi-restraints excluded: chain S6 residue 4 VAL Chi-restraints excluded: chain S9 residue 6 LYS Chi-restraints excluded: chain S9 residue 22 ASN Chi-restraints excluded: chain TA residue 4 VAL Chi-restraints excluded: chain TD residue 11 PHE Chi-restraints excluded: chain TD residue 22 ASN Chi-restraints excluded: chain TE residue 4 VAL Chi-restraints excluded: chain TM residue 4 VAL Chi-restraints excluded: chain TQ residue 13 ASP Chi-restraints excluded: chain TU residue 4 VAL Chi-restraints excluded: chain TX residue 9 LYS Chi-restraints excluded: chain TX residue 22 ASN Chi-restraints excluded: chain TY residue 4 VAL Chi-restraints excluded: chain T2 residue 4 VAL Chi-restraints excluded: chain T5 residue 11 PHE Chi-restraints excluded: chain UA residue 4 VAL Chi-restraints excluded: chain UE residue 4 VAL Chi-restraints excluded: chain UH residue 11 PHE Chi-restraints excluded: chain UI residue 4 VAL Chi-restraints excluded: chain UL residue 11 PHE Chi-restraints excluded: chain UQ residue 4 VAL Chi-restraints excluded: chain UT residue 11 PHE Chi-restraints excluded: chain UU residue 4 VAL Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1608 random chunks: chunk 811 optimal weight: 9.9990 chunk 453 optimal weight: 6.9990 chunk 1215 optimal weight: 10.0000 chunk 994 optimal weight: 3.9990 chunk 402 optimal weight: 9.9990 chunk 1462 optimal weight: 9.9990 chunk 1580 optimal weight: 0.9990 chunk 1302 optimal weight: 10.0000 chunk 1450 optimal weight: 0.4980 chunk 498 optimal weight: 2.9990 chunk 1173 optimal weight: 6.9990 overall best weight: 3.0988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** Y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 22 ASN ** e 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G5 22 ASN HL 22 ASN ** H0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ID 22 ASN ** IG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** IL 22 ASN ** IO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** JD 22 ASN ** JK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** KD 22 ASN ** KO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** MX 22 ASN ** M8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q9 22 ASN ** RH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** TT 22 ASN ** T0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** UP 22 ASN Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8540 moved from start: 0.3240 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.036 146328 Z= 0.188 Angle : 0.569 12.639 191955 Z= 0.282 Chirality : 0.033 0.152 19497 Planarity : 0.002 0.013 22914 Dihedral : 3.778 14.766 16281 Min Nonbonded Distance : 2.237 Molprobity Statistics. All-atom Clashscore : 10.55 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.24 % Favored : 97.76 % Rotamer: Outliers : 5.01 % Allowed : 25.80 % Favored : 69.19 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.34 (0.06), residues: 15477 helix: 0.68 (0.04), residues: 14271 sheet: None (None), residues: 0 loop : -4.56 (0.06), residues: 1206 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.026 0.001 PHEDB 11 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6417 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 735 poor density : 5682 time to evaluate : 13.594 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 6 LYS cc_start: 0.9057 (ttmm) cc_final: 0.8071 (tmtt) REVERT: A 9 LYS cc_start: 0.9260 (tptm) cc_final: 0.9048 (tptm) REVERT: A 13 ASP cc_start: 0.8775 (m-30) cc_final: 0.8444 (m-30) REVERT: A 15 LEU cc_start: 0.8263 (OUTLIER) cc_final: 0.8052 (tp) REVERT: A 17 LYS cc_start: 0.9327 (mtpp) cc_final: 0.8724 (pptt) REVERT: B 6 LYS cc_start: 0.8988 (ptmt) cc_final: 0.8626 (pttt) REVERT: C 2 GLU cc_start: 0.7881 (OUTLIER) cc_final: 0.7163 (tm-30) REVERT: E 6 LYS cc_start: 0.9016 (ttmm) cc_final: 0.8061 (tmtt) REVERT: E 9 LYS cc_start: 0.9161 (tptt) cc_final: 0.8835 (tptt) REVERT: E 17 LYS cc_start: 0.9339 (mtpp) cc_final: 0.8851 (pttt) REVERT: F 6 LYS cc_start: 0.9092 (ptmt) cc_final: 0.8561 (pptt) REVERT: F 12 LYS cc_start: 0.9265 (tmmt) cc_final: 0.8900 (tmmt) REVERT: H 12 LYS cc_start: 0.9314 (ttpt) cc_final: 0.8829 (tptp) REVERT: I 6 LYS cc_start: 0.8993 (ttmm) cc_final: 0.8197 (tmtt) REVERT: I 9 LYS cc_start: 0.9191 (tptt) cc_final: 0.8865 (tptp) REVERT: I 13 ASP cc_start: 0.8829 (m-30) cc_final: 0.8261 (m-30) REVERT: I 17 LYS cc_start: 0.9312 (mtpp) cc_final: 0.8793 (pttt) REVERT: J 6 LYS cc_start: 0.8879 (ptmt) cc_final: 0.8511 (pttp) REVERT: J 13 ASP cc_start: 0.8818 (t0) cc_final: 0.8557 (t0) REVERT: K 17 LYS cc_start: 0.9020 (mttt) cc_final: 0.8094 (tmtt) REVERT: L 9 LYS cc_start: 0.9137 (tppt) cc_final: 0.8891 (ttmm) REVERT: M 1 MET cc_start: 0.7848 (pmm) cc_final: 0.7353 (pmm) REVERT: M 6 LYS cc_start: 0.9080 (ttmm) cc_final: 0.8181 (tmtt) REVERT: M 17 LYS cc_start: 0.9295 (mtpp) cc_final: 0.8870 (pptt) REVERT: N 6 LYS cc_start: 0.9051 (ptmt) cc_final: 0.8532 (pttp) REVERT: N 12 LYS cc_start: 0.9293 (tmmt) cc_final: 0.8956 (tmmt) REVERT: P 1 MET cc_start: 0.7353 (ptt) cc_final: 0.5396 (mmt) REVERT: Q 6 LYS cc_start: 0.8949 (ttmm) cc_final: 0.8003 (tmtt) REVERT: Q 9 LYS cc_start: 0.9234 (tptt) cc_final: 0.8978 (tptm) REVERT: Q 13 ASP cc_start: 0.8648 (m-30) cc_final: 0.7977 (m-30) REVERT: Q 17 LYS cc_start: 0.9213 (mtpp) cc_final: 0.8649 (pttt) REVERT: R 6 LYS cc_start: 0.9068 (ptmt) cc_final: 0.8503 (pptt) REVERT: T 1 MET cc_start: 0.7587 (ptt) cc_final: 0.5396 (mmt) REVERT: T 12 LYS cc_start: 0.9253 (tttm) cc_final: 0.8934 (tppt) REVERT: U 6 LYS cc_start: 0.9006 (ttmm) cc_final: 0.8091 (tmtt) REVERT: U 9 LYS cc_start: 0.9304 (tptm) cc_final: 0.8901 (tptt) REVERT: U 17 LYS cc_start: 0.9211 (mtpp) cc_final: 0.8810 (pttt) REVERT: V 6 LYS cc_start: 0.9093 (ptmt) cc_final: 0.8735 (pttp) REVERT: W 1 MET cc_start: 0.7356 (tmm) cc_final: 0.6997 (tmm) REVERT: W 17 LYS cc_start: 0.8981 (mttt) cc_final: 0.8217 (tmtt) REVERT: X 1 MET cc_start: 0.7162 (ptt) cc_final: 0.6944 (ptm) REVERT: Y 1 MET cc_start: 0.7519 (pmm) cc_final: 0.7251 (pmm) REVERT: Y 6 LYS cc_start: 0.8994 (ttmm) cc_final: 0.8251 (tmtt) REVERT: Y 9 LYS cc_start: 0.9237 (tptt) cc_final: 0.8681 (tptp) REVERT: Y 13 ASP cc_start: 0.8796 (m-30) cc_final: 0.7524 (m-30) REVERT: Y 17 LYS cc_start: 0.9408 (mtpp) cc_final: 0.8798 (pttp) REVERT: Z 1 MET cc_start: 0.7511 (mtm) cc_final: 0.7276 (mtm) REVERT: Z 6 LYS cc_start: 0.8835 (ptmt) cc_final: 0.8308 (pptt) REVERT: 0 17 LYS cc_start: 0.8950 (mttt) cc_final: 0.7967 (tmtt) REVERT: 1 12 LYS cc_start: 0.9229 (tttm) cc_final: 0.8870 (tppt) REVERT: 2 6 LYS cc_start: 0.9029 (ttmm) cc_final: 0.8018 (tmtt) REVERT: 2 9 LYS cc_start: 0.9137 (tptp) cc_final: 0.8927 (tptp) REVERT: 2 13 ASP cc_start: 0.8617 (m-30) cc_final: 0.8199 (m-30) REVERT: 2 17 LYS cc_start: 0.9214 (mtpp) cc_final: 0.8818 (pptt) REVERT: 3 6 LYS cc_start: 0.9049 (ptmt) cc_final: 0.8620 (pptt) REVERT: 5 11 PHE cc_start: 0.9176 (m-10) cc_final: 0.8922 (m-80) REVERT: 6 1 MET cc_start: 0.7723 (pmm) cc_final: 0.7238 (pmm) REVERT: 6 6 LYS cc_start: 0.8951 (ttmm) cc_final: 0.8192 (tmtt) REVERT: 6 17 LYS cc_start: 0.9293 (mtpp) cc_final: 0.8886 (pptt) REVERT: 7 6 LYS cc_start: 0.9011 (ptmt) cc_final: 0.8718 (pttp) REVERT: 8 2 GLU cc_start: 0.7862 (tm-30) cc_final: 0.7297 (pp20) REVERT: 8 17 LYS cc_start: 0.9114 (mttt) cc_final: 0.8227 (tmtt) REVERT: a 6 LYS cc_start: 0.8988 (ttmm) cc_final: 0.8139 (tmtt) REVERT: a 9 LYS cc_start: 0.9279 (tptm) cc_final: 0.8789 (tptt) REVERT: a 13 ASP cc_start: 0.8653 (m-30) cc_final: 0.7991 (m-30) REVERT: a 17 LYS cc_start: 0.9265 (mtpp) cc_final: 0.8720 (pttt) REVERT: b 1 MET cc_start: 0.7173 (mtm) cc_final: 0.6836 (mtm) REVERT: b 6 LYS cc_start: 0.8905 (ptmt) cc_final: 0.8424 (pttt) REVERT: b 13 ASP cc_start: 0.8758 (t0) cc_final: 0.8509 (t0) REVERT: c 2 GLU cc_start: 0.8582 (tp30) cc_final: 0.8336 (tp30) REVERT: c 17 LYS cc_start: 0.9137 (mttt) cc_final: 0.8078 (tmtt) REVERT: d 1 MET cc_start: 0.7561 (ptt) cc_final: 0.4969 (mmt) REVERT: d 12 LYS cc_start: 0.9262 (tmmt) cc_final: 0.8844 (tppt) REVERT: e 6 LYS cc_start: 0.8934 (ttmm) cc_final: 0.8083 (tmtt) REVERT: e 17 LYS cc_start: 0.9331 (mtpp) cc_final: 0.8815 (pptt) REVERT: f 6 LYS cc_start: 0.8967 (ptmt) cc_final: 0.8434 (pttt) REVERT: f 15 LEU cc_start: 0.8846 (tt) cc_final: 0.8570 (tp) REVERT: f 21 ASN cc_start: 0.7808 (p0) cc_final: 0.7522 (p0) REVERT: h 1 MET cc_start: 0.6484 (ptt) cc_final: 0.5353 (mmt) REVERT: i 6 LYS cc_start: 0.8967 (ttmm) cc_final: 0.8155 (tmtt) REVERT: i 9 LYS cc_start: 0.9210 (tptm) cc_final: 0.8727 (tptt) REVERT: i 13 ASP cc_start: 0.8731 (m-30) cc_final: 0.8092 (m-30) REVERT: i 17 LYS cc_start: 0.9367 (mtpp) cc_final: 0.8817 (pptt) REVERT: j 6 LYS cc_start: 0.8983 (ptmt) cc_final: 0.8509 (pptt) REVERT: j 12 LYS cc_start: 0.9296 (tmmt) cc_final: 0.9013 (tmmt) REVERT: k 1 MET cc_start: 0.6918 (ttt) cc_final: 0.6521 (tmm) REVERT: k 2 GLU cc_start: 0.7627 (OUTLIER) cc_final: 0.7012 (tm-30) REVERT: k 17 LYS cc_start: 0.9003 (mttt) cc_final: 0.8127 (tmtt) REVERT: l 12 LYS cc_start: 0.9260 (ttpt) cc_final: 0.8568 (tptp) REVERT: m 6 LYS cc_start: 0.9027 (ttmm) cc_final: 0.8120 (tmtt) REVERT: m 9 LYS cc_start: 0.9332 (tptt) cc_final: 0.9056 (tptt) REVERT: m 17 LYS cc_start: 0.9276 (mtpp) cc_final: 0.8808 (pttp) REVERT: n 6 LYS cc_start: 0.8825 (ptmt) cc_final: 0.8581 (pttp) REVERT: n 17 LYS cc_start: 0.8964 (ttmm) cc_final: 0.8102 (tmtt) REVERT: o 1 MET cc_start: 0.7294 (tmm) cc_final: 0.6997 (tmm) REVERT: p 1 MET cc_start: 0.7397 (ptt) cc_final: 0.5018 (mmt) REVERT: q 1 MET cc_start: 0.7115 (pmm) cc_final: 0.6887 (pmm) REVERT: q 9 LYS cc_start: 0.9132 (tptt) cc_final: 0.8692 (tptp) REVERT: q 13 ASP cc_start: 0.8752 (m-30) cc_final: 0.7496 (m-30) REVERT: r 6 LYS cc_start: 0.9193 (ptpt) cc_final: 0.8884 (ptpp) REVERT: r 12 LYS cc_start: 0.9370 (tmmt) cc_final: 0.9097 (tmmt) REVERT: t 1 MET cc_start: 0.7351 (ptt) cc_final: 0.7126 (ptm) REVERT: t 2 GLU cc_start: 0.8329 (pm20) cc_final: 0.8121 (pm20) REVERT: t 12 LYS cc_start: 0.9272 (ttpt) cc_final: 0.8624 (tptp) REVERT: u 1 MET cc_start: 0.7569 (pmm) cc_final: 0.7245 (pmm) REVERT: u 2 GLU cc_start: 0.8953 (tp30) cc_final: 0.8490 (tp30) REVERT: u 6 LYS cc_start: 0.9374 (mmtt) cc_final: 0.8908 (mmtp) REVERT: u 9 LYS cc_start: 0.9202 (tptm) cc_final: 0.8769 (tptt) REVERT: v 1 MET cc_start: 0.7114 (mtm) cc_final: 0.6764 (mtm) REVERT: v 6 LYS cc_start: 0.9255 (ptmt) cc_final: 0.8958 (ptpp) REVERT: v 13 ASP cc_start: 0.8804 (t0) cc_final: 0.8508 (t70) REVERT: v 21 ASN cc_start: 0.7452 (p0) cc_final: 0.7205 (p0) REVERT: x 13 ASP cc_start: 0.9081 (t0) cc_final: 0.8781 (t0) REVERT: y 2 GLU cc_start: 0.8860 (tp30) cc_final: 0.8330 (tp30) REVERT: y 6 LYS cc_start: 0.9356 (mttm) cc_final: 0.9048 (mmtp) REVERT: z 6 LYS cc_start: 0.9348 (ptmt) cc_final: 0.9036 (ptpp) REVERT: AC 9 LYS cc_start: 0.9193 (tptm) cc_final: 0.8923 (tptm) REVERT: AC 13 ASP cc_start: 0.8731 (m-30) cc_final: 0.8416 (m-30) REVERT: AD 6 LYS cc_start: 0.9329 (ptmt) cc_final: 0.9107 (ptpp) REVERT: AE 13 ASP cc_start: 0.8326 (p0) cc_final: 0.8047 (p0) REVERT: AG 1 MET cc_start: 0.7700 (pmm) cc_final: 0.7134 (pmm) REVERT: AH 6 LYS cc_start: 0.9311 (ptmt) cc_final: 0.8954 (ptpp) REVERT: AJ 13 ASP cc_start: 0.8879 (t0) cc_final: 0.8471 (t0) REVERT: AK 1 MET cc_start: 0.7504 (pmm) cc_final: 0.6094 (pmm) REVERT: AK 2 GLU cc_start: 0.8846 (tp30) cc_final: 0.8316 (tp30) REVERT: AK 9 LYS cc_start: 0.9287 (tptm) cc_final: 0.8609 (tptm) REVERT: AK 13 ASP cc_start: 0.8624 (m-30) cc_final: 0.7925 (m-30) REVERT: AL 1 MET cc_start: 0.7058 (mtm) cc_final: 0.6773 (mtm) REVERT: AN 2 GLU cc_start: 0.8611 (pm20) cc_final: 0.8331 (pm20) REVERT: AO 1 MET cc_start: 0.7690 (pmm) cc_final: 0.7467 (pmm) REVERT: AO 17 LYS cc_start: 0.9143 (mtpt) cc_final: 0.8757 (mtpt) REVERT: AP 6 LYS cc_start: 0.9302 (ptpt) cc_final: 0.8947 (ptmt) REVERT: AR 13 ASP cc_start: 0.9025 (t0) cc_final: 0.8464 (t70) REVERT: AS 9 LYS cc_start: 0.9167 (tptt) cc_final: 0.8885 (tptt) REVERT: AT 6 LYS cc_start: 0.9313 (ptmt) cc_final: 0.9008 (ptpp) REVERT: AV 12 LYS cc_start: 0.9274 (tttm) cc_final: 0.8843 (tppt) REVERT: AW 2 GLU cc_start: 0.8850 (tp30) cc_final: 0.8267 (tp30) REVERT: AW 6 LYS cc_start: 0.9326 (mttm) cc_final: 0.8951 (mttm) REVERT: AX 6 LYS cc_start: 0.9268 (ptmt) cc_final: 0.9036 (ptpp) REVERT: AX 12 LYS cc_start: 0.9273 (tmmt) cc_final: 0.9013 (tmmt) REVERT: AX 21 ASN cc_start: 0.7202 (OUTLIER) cc_final: 0.6797 (p0) REVERT: AY 2 GLU cc_start: 0.8418 (tp30) cc_final: 0.8192 (tp30) REVERT: AZ 12 LYS cc_start: 0.9306 (ttpp) cc_final: 0.8804 (tppt) REVERT: A0 13 ASP cc_start: 0.8605 (m-30) cc_final: 0.8101 (m-30) REVERT: A1 21 ASN cc_start: 0.7574 (p0) cc_final: 0.7254 (p0) REVERT: A2 1 MET cc_start: 0.7333 (tmm) cc_final: 0.7048 (tmm) REVERT: A3 1 MET cc_start: 0.6823 (ptt) cc_final: 0.6491 (ptt) REVERT: A3 13 ASP cc_start: 0.8985 (t0) cc_final: 0.8418 (t0) REVERT: A4 9 LYS cc_start: 0.9123 (tptt) cc_final: 0.8635 (tptp) REVERT: A4 13 ASP cc_start: 0.8642 (m-30) cc_final: 0.7699 (m-30) REVERT: A5 6 LYS cc_start: 0.9193 (ptmt) cc_final: 0.8947 (ptpp) REVERT: A8 9 LYS cc_start: 0.9168 (tptt) cc_final: 0.8631 (tptm) REVERT: A8 13 ASP cc_start: 0.8758 (m-30) cc_final: 0.7848 (m-30) REVERT: A9 6 LYS cc_start: 0.9359 (ptmt) cc_final: 0.8971 (ptpp) REVERT: BC 9 LYS cc_start: 0.9295 (tptt) cc_final: 0.8860 (tptm) REVERT: BC 13 ASP cc_start: 0.8612 (m-30) cc_final: 0.7825 (m-30) REVERT: BF 12 LYS cc_start: 0.9204 (ttpt) cc_final: 0.8583 (tppt) REVERT: BG 13 ASP cc_start: 0.8544 (m-30) cc_final: 0.8191 (m-30) REVERT: BJ 12 LYS cc_start: 0.9232 (ttpt) cc_final: 0.8822 (tppt) REVERT: BK 2 GLU cc_start: 0.8764 (tp30) cc_final: 0.8457 (tp30) REVERT: BK 9 LYS cc_start: 0.9159 (tptt) cc_final: 0.8691 (tptm) REVERT: BK 13 ASP cc_start: 0.8552 (m-30) cc_final: 0.7667 (m-30) REVERT: BL 13 ASP cc_start: 0.8719 (t0) cc_final: 0.8485 (t0) REVERT: BM 1 MET cc_start: 0.7385 (tmm) cc_final: 0.7088 (tmm) REVERT: BN 6 LYS cc_start: 0.9226 (ttmm) cc_final: 0.9023 (mtmm) REVERT: BP 6 LYS cc_start: 0.9394 (ptmt) cc_final: 0.9165 (ptpp) REVERT: BP 13 ASP cc_start: 0.8535 (t70) cc_final: 0.8283 (t0) REVERT: BQ 1 MET cc_start: 0.7660 (tmm) cc_final: 0.7091 (tmm) REVERT: BR 12 LYS cc_start: 0.9201 (ttpt) cc_final: 0.8814 (tppt) REVERT: BS 9 LYS cc_start: 0.9191 (tppp) cc_final: 0.8715 (tptt) REVERT: BT 6 LYS cc_start: 0.9345 (ptmt) cc_final: 0.9012 (ptpp) REVERT: BW 9 LYS cc_start: 0.9160 (tptt) cc_final: 0.8730 (tptt) REVERT: BX 6 LYS cc_start: 0.9326 (ptpt) cc_final: 0.9080 (ptpp) REVERT: BX 9 LYS cc_start: 0.9348 (OUTLIER) cc_final: 0.9050 (ttpt) REVERT: BX 12 LYS cc_start: 0.9355 (tmmt) cc_final: 0.9044 (tmmt) REVERT: BX 13 ASP cc_start: 0.8776 (t0) cc_final: 0.8574 (t0) REVERT: B0 2 GLU cc_start: 0.8839 (tp30) cc_final: 0.8536 (tp30) REVERT: B0 9 LYS cc_start: 0.9281 (tptt) cc_final: 0.8704 (tptp) REVERT: B0 13 ASP cc_start: 0.8695 (m-30) cc_final: 0.7900 (m-30) REVERT: B0 17 LYS cc_start: 0.9048 (mtpp) cc_final: 0.8807 (mtpt) REVERT: B1 21 ASN cc_start: 0.7444 (p0) cc_final: 0.7165 (p0) REVERT: B4 2 GLU cc_start: 0.8700 (tp30) cc_final: 0.7802 (tp30) REVERT: B4 6 LYS cc_start: 0.8921 (ttmm) cc_final: 0.8691 (mmtm) REVERT: B4 13 ASP cc_start: 0.8612 (m-30) cc_final: 0.8314 (m-30) REVERT: B5 6 LYS cc_start: 0.9278 (ptmt) cc_final: 0.9020 (ptpp) REVERT: B5 12 LYS cc_start: 0.9412 (tmmt) cc_final: 0.9044 (tmmt) REVERT: B7 9 LYS cc_start: 0.9321 (tppt) cc_final: 0.9092 (ttmm) REVERT: B8 9 LYS cc_start: 0.9210 (tptm) cc_final: 0.8718 (tptt) REVERT: CB 13 ASP cc_start: 0.8873 (t0) cc_final: 0.8414 (t0) REVERT: CC 6 LYS cc_start: 0.9348 (mmtm) cc_final: 0.9011 (mmtm) REVERT: CC 9 LYS cc_start: 0.9236 (tptm) cc_final: 0.8913 (tptm) REVERT: CC 13 ASP cc_start: 0.8479 (m-30) cc_final: 0.8077 (m-30) REVERT: CD 6 LYS cc_start: 0.9252 (ptmt) cc_final: 0.8998 (ptpp) REVERT: CE 2 GLU cc_start: 0.7244 (tm-30) cc_final: 0.6960 (tm-30) REVERT: CF 13 ASP cc_start: 0.8842 (t0) cc_final: 0.8412 (t0) REVERT: CG 2 GLU cc_start: 0.8884 (tp30) cc_final: 0.8079 (tp30) REVERT: CG 6 LYS cc_start: 0.9370 (mmtt) cc_final: 0.8980 (mmtt) REVERT: CG 9 LYS cc_start: 0.9142 (tptt) cc_final: 0.8680 (tptm) REVERT: CG 13 ASP cc_start: 0.8718 (m-30) cc_final: 0.8047 (m-30) REVERT: CH 1 MET cc_start: 0.7208 (mtm) cc_final: 0.6960 (mtm) REVERT: CH 6 LYS cc_start: 0.9316 (ptpt) cc_final: 0.9102 (ptpp) REVERT: CH 12 LYS cc_start: 0.9332 (tmmt) cc_final: 0.9016 (tmmt) REVERT: CI 2 GLU cc_start: 0.7578 (tm-30) cc_final: 0.7377 (tm-30) REVERT: CJ 9 LYS cc_start: 0.9231 (tppt) cc_final: 0.9023 (ttmm) REVERT: CK 9 LYS cc_start: 0.9239 (tptm) cc_final: 0.8952 (tptm) REVERT: CK 13 ASP cc_start: 0.8699 (m-30) cc_final: 0.8483 (m-30) REVERT: CL 1 MET cc_start: 0.7277 (mtm) cc_final: 0.6893 (mtm) REVERT: CL 6 LYS cc_start: 0.9213 (ptpt) cc_final: 0.8963 (pttt) REVERT: CL 12 LYS cc_start: 0.9351 (tmmt) cc_final: 0.9022 (tmmt) REVERT: CN 9 LYS cc_start: 0.9212 (tppt) cc_final: 0.9006 (ttmm) REVERT: CO 9 LYS cc_start: 0.9167 (tptt) cc_final: 0.8677 (tptt) REVERT: CO 13 ASP cc_start: 0.8701 (m-30) cc_final: 0.7661 (m-30) REVERT: CP 6 LYS cc_start: 0.9184 (ptpt) cc_final: 0.8869 (ptpp) REVERT: CR 2 GLU cc_start: 0.8335 (pm20) cc_final: 0.8076 (pm20) REVERT: CR 12 LYS cc_start: 0.9218 (tttt) cc_final: 0.8853 (tppt) REVERT: CS 2 GLU cc_start: 0.8795 (tp30) cc_final: 0.8198 (tp30) REVERT: CS 6 LYS cc_start: 0.9383 (mmtm) cc_final: 0.8899 (mmtt) REVERT: CV 13 ASP cc_start: 0.8952 (t0) cc_final: 0.8427 (t0) REVERT: CX 6 LYS cc_start: 0.9309 (ptmt) cc_final: 0.8911 (ptpp) REVERT: CX 12 LYS cc_start: 0.9289 (tmmt) cc_final: 0.9003 (tmmt) REVERT: CZ 12 LYS cc_start: 0.9365 (ttpt) cc_final: 0.8894 (tppt) REVERT: C0 9 LYS cc_start: 0.9185 (tptt) cc_final: 0.8481 (tptp) REVERT: C0 13 ASP cc_start: 0.8707 (m-30) cc_final: 0.7253 (m-30) REVERT: C1 1 MET cc_start: 0.7146 (mtm) cc_final: 0.6870 (mtm) REVERT: C1 6 LYS cc_start: 0.9323 (ptpt) cc_final: 0.9111 (ptpp) REVERT: C1 12 LYS cc_start: 0.9277 (tmmt) cc_final: 0.9020 (ttpt) REVERT: C5 6 LYS cc_start: 0.9325 (ptpt) cc_final: 0.8839 (ptpp) REVERT: C7 9 LYS cc_start: 0.9255 (tppt) cc_final: 0.9027 (ttmm) REVERT: C7 11 PHE cc_start: 0.9160 (m-10) cc_final: 0.8908 (m-80) REVERT: C7 13 ASP cc_start: 0.8921 (t0) cc_final: 0.8499 (t0) REVERT: C8 9 LYS cc_start: 0.9196 (tptm) cc_final: 0.8904 (tptp) REVERT: C9 12 LYS cc_start: 0.9266 (tmmt) cc_final: 0.8980 (tmmt) REVERT: DA 1 MET cc_start: 0.7545 (tmm) cc_final: 0.6975 (tmm) REVERT: DB 1 MET cc_start: 0.7773 (ptt) cc_final: 0.7315 (ptp) REVERT: DB 2 GLU cc_start: 0.8251 (pm20) cc_final: 0.7534 (pm20) REVERT: DC 9 LYS cc_start: 0.9170 (tptt) cc_final: 0.8747 (tptp) REVERT: DC 13 ASP cc_start: 0.8809 (m-30) cc_final: 0.8183 (m-30) REVERT: DD 6 LYS cc_start: 0.9296 (ptmt) cc_final: 0.9032 (ptpp) REVERT: DD 13 ASP cc_start: 0.8730 (t0) cc_final: 0.8488 (t0) REVERT: DE 1 MET cc_start: 0.7258 (tmm) cc_final: 0.6904 (tmm) REVERT: DE 2 GLU cc_start: 0.7550 (tm-30) cc_final: 0.7275 (tm-30) REVERT: DE 9 LYS cc_start: 0.9348 (tppt) cc_final: 0.9027 (tppt) REVERT: DF 15 LEU cc_start: 0.9634 (tp) cc_final: 0.9268 (tp) REVERT: DG 9 LYS cc_start: 0.9238 (tptt) cc_final: 0.8915 (tptt) REVERT: DI 10 PHE cc_start: 0.9230 (t80) cc_final: 0.8925 (t80) REVERT: DJ 2 GLU cc_start: 0.8356 (pm20) cc_final: 0.8142 (pm20) REVERT: DJ 12 LYS cc_start: 0.9192 (ttpp) cc_final: 0.8583 (tppt) REVERT: DK 2 GLU cc_start: 0.8712 (tp30) cc_final: 0.8306 (tp30) REVERT: DK 9 LYS cc_start: 0.9383 (tptm) cc_final: 0.9008 (tptt) REVERT: DL 1 MET cc_start: 0.7318 (mtm) cc_final: 0.6764 (mtm) REVERT: DN 1 MET cc_start: 0.7215 (ptt) cc_final: 0.6796 (ptm) REVERT: DN 2 GLU cc_start: 0.8364 (pm20) cc_final: 0.8052 (pm20) REVERT: DO 13 ASP cc_start: 0.8459 (m-30) cc_final: 0.8154 (m-30) REVERT: DP 6 LYS cc_start: 0.9339 (ptmt) cc_final: 0.9102 (ptpp) REVERT: DP 12 LYS cc_start: 0.9321 (tmmt) cc_final: 0.8993 (tmmt) REVERT: DR 12 LYS cc_start: 0.9275 (ttpt) cc_final: 0.8718 (tptp) REVERT: DS 2 GLU cc_start: 0.8798 (tp30) cc_final: 0.8114 (tp30) REVERT: DS 6 LYS cc_start: 0.9179 (mttm) cc_final: 0.8838 (mmtp) REVERT: DS 9 LYS cc_start: 0.9140 (tptt) cc_final: 0.8838 (tptt) REVERT: DS 15 LEU cc_start: 0.8067 (OUTLIER) cc_final: 0.7838 (tt) REVERT: DT 6 LYS cc_start: 0.9283 (ptmt) cc_final: 0.8800 (ptmt) REVERT: DV 2 GLU cc_start: 0.8283 (pm20) cc_final: 0.8042 (pm20) REVERT: DW 9 LYS cc_start: 0.9125 (tptm) cc_final: 0.8876 (tptm) REVERT: DW 13 ASP cc_start: 0.8509 (m-30) cc_final: 0.8222 (m-30) REVERT: DX 1 MET cc_start: 0.7073 (mtm) cc_final: 0.6817 (mtm) REVERT: DX 6 LYS cc_start: 0.9277 (ptpt) cc_final: 0.8922 (ptpp) REVERT: DX 13 ASP cc_start: 0.8752 (t0) cc_final: 0.8346 (t0) REVERT: DX 21 ASN cc_start: 0.7845 (p0) cc_final: 0.7536 (p0) REVERT: DY 1 MET cc_start: 0.7080 (tmm) cc_final: 0.6855 (tmm) REVERT: D0 2 GLU cc_start: 0.8664 (tp30) cc_final: 0.8274 (tp30) REVERT: D2 9 LYS cc_start: 0.9412 (tppt) cc_final: 0.9195 (tppt) REVERT: D3 12 LYS cc_start: 0.9140 (ttpp) cc_final: 0.8746 (tppt) REVERT: D4 2 GLU cc_start: 0.8961 (tp30) cc_final: 0.8512 (tp30) REVERT: D4 9 LYS cc_start: 0.9265 (tptt) cc_final: 0.9009 (tptm) REVERT: D4 13 ASP cc_start: 0.8716 (m-30) cc_final: 0.8297 (m-30) REVERT: D5 1 MET cc_start: 0.7364 (mtm) cc_final: 0.7023 (mtm) REVERT: D5 21 ASN cc_start: 0.7548 (p0) cc_final: 0.7165 (p0) REVERT: D7 2 GLU cc_start: 0.8257 (pm20) cc_final: 0.8026 (pm20) REVERT: D7 9 LYS cc_start: 0.9263 (tppt) cc_final: 0.9059 (ttmm) REVERT: D7 12 LYS cc_start: 0.9194 (ttpt) cc_final: 0.8652 (tppt) REVERT: D7 13 ASP cc_start: 0.8952 (t0) cc_final: 0.8594 (t0) REVERT: D8 9 LYS cc_start: 0.9309 (tptm) cc_final: 0.9031 (tptm) REVERT: D9 6 LYS cc_start: 0.9334 (ptmt) cc_final: 0.8949 (ptmt) REVERT: EE 15 LEU cc_start: 0.9350 (mt) cc_final: 0.9139 (mt) REVERT: EF 13 ASP cc_start: 0.9029 (t0) cc_final: 0.8607 (t0) REVERT: EG 2 GLU cc_start: 0.8706 (tp30) cc_final: 0.8261 (tp30) REVERT: EG 9 LYS cc_start: 0.9296 (tptt) cc_final: 0.8833 (tptm) REVERT: EG 13 ASP cc_start: 0.8771 (m-30) cc_final: 0.7992 (m-30) REVERT: EH 6 LYS cc_start: 0.9367 (ptmt) cc_final: 0.9065 (ptpp) REVERT: EK 2 GLU cc_start: 0.8872 (tp30) cc_final: 0.8512 (tp30) REVERT: EK 6 LYS cc_start: 0.9407 (mmtt) cc_final: 0.9037 (mttm) REVERT: EK 9 LYS cc_start: 0.9136 (tptt) cc_final: 0.8839 (tptp) REVERT: EK 13 ASP cc_start: 0.8579 (m-30) cc_final: 0.7573 (m-30) REVERT: EL 12 LYS cc_start: 0.9313 (ttpt) cc_final: 0.9024 (tmmt) REVERT: EL 21 ASN cc_start: 0.7311 (p0) cc_final: 0.6974 (p0) REVERT: EN 12 LYS cc_start: 0.9287 (ttpt) cc_final: 0.8815 (tptp) REVERT: EO 1 MET cc_start: 0.7346 (pmm) cc_final: 0.6925 (ptp) REVERT: EO 9 LYS cc_start: 0.9267 (tptt) cc_final: 0.8961 (tptm) REVERT: EP 1 MET cc_start: 0.7384 (mtm) cc_final: 0.7041 (mtm) REVERT: EP 6 LYS cc_start: 0.9237 (ptmt) cc_final: 0.8870 (ptpp) REVERT: EQ 13 ASP cc_start: 0.9055 (t70) cc_final: 0.8792 (t0) REVERT: ER 11 PHE cc_start: 0.9126 (m-10) cc_final: 0.8856 (m-80) REVERT: ET 12 LYS cc_start: 0.9354 (tmmt) cc_final: 0.9102 (tmmt) REVERT: EV 2 GLU cc_start: 0.8426 (pm20) cc_final: 0.8090 (pm20) REVERT: EV 12 LYS cc_start: 0.9281 (tttm) cc_final: 0.8769 (tppt) REVERT: EW 9 LYS cc_start: 0.9195 (tptm) cc_final: 0.8810 (tptp) REVERT: EW 13 ASP cc_start: 0.8805 (m-30) cc_final: 0.8382 (m-30) REVERT: EX 12 LYS cc_start: 0.9340 (tmmt) cc_final: 0.9008 (tmmt) REVERT: EX 13 ASP cc_start: 0.8858 (t0) cc_final: 0.8549 (t0) REVERT: EY 9 LYS cc_start: 0.9303 (tppt) cc_final: 0.9073 (tppt) REVERT: EY 13 ASP cc_start: 0.8569 (p0) cc_final: 0.8345 (p0) REVERT: EZ 12 LYS cc_start: 0.9248 (tttt) cc_final: 0.8741 (tppt) REVERT: EZ 13 ASP cc_start: 0.8932 (t0) cc_final: 0.8563 (t0) REVERT: E1 6 LYS cc_start: 0.9309 (ptmt) cc_final: 0.8919 (ptmt) REVERT: E4 2 GLU cc_start: 0.8963 (tp30) cc_final: 0.8576 (tp30) REVERT: E4 9 LYS cc_start: 0.9180 (tptt) cc_final: 0.8885 (tptm) REVERT: E4 13 ASP cc_start: 0.8505 (m-30) cc_final: 0.8067 (m-30) REVERT: E4 18 PHE cc_start: 0.8778 (t80) cc_final: 0.8551 (t80) REVERT: E5 1 MET cc_start: 0.6940 (mtm) cc_final: 0.6525 (mtm) REVERT: E5 6 LYS cc_start: 0.9381 (ptmt) cc_final: 0.9055 (ptpp) REVERT: E7 13 ASP cc_start: 0.8978 (t0) cc_final: 0.8519 (t0) REVERT: E8 9 LYS cc_start: 0.9250 (tptt) cc_final: 0.8906 (tptm) REVERT: E8 13 ASP cc_start: 0.8481 (m-30) cc_final: 0.7867 (m-30) REVERT: FA 13 ASP cc_start: 0.8476 (OUTLIER) cc_final: 0.8260 (p0) REVERT: FC 2 GLU cc_start: 0.8852 (tp30) cc_final: 0.8611 (tp30) REVERT: FC 9 LYS cc_start: 0.9126 (tptt) cc_final: 0.8541 (tptp) REVERT: FC 13 ASP cc_start: 0.8515 (m-30) cc_final: 0.7057 (m-30) REVERT: FD 6 LYS cc_start: 0.9283 (ptmt) cc_final: 0.8903 (ptmt) REVERT: FF 1 MET cc_start: 0.7279 (ptt) cc_final: 0.6850 (ptm) REVERT: FF 2 GLU cc_start: 0.8372 (pm20) cc_final: 0.8041 (pm20) REVERT: FG 13 ASP cc_start: 0.8665 (m-30) cc_final: 0.8415 (m-30) REVERT: FH 6 LYS cc_start: 0.9293 (ptmt) cc_final: 0.8951 (ptpp) REVERT: FH 12 LYS cc_start: 0.9228 (tmmt) cc_final: 0.8983 (tmmt) REVERT: FL 6 LYS cc_start: 0.9328 (ptmt) cc_final: 0.9044 (ptpp) REVERT: FN 13 ASP cc_start: 0.8966 (t0) cc_final: 0.8475 (t0) REVERT: FO 2 GLU cc_start: 0.8826 (tp30) cc_final: 0.8564 (tp30) REVERT: FO 9 LYS cc_start: 0.9248 (tptt) cc_final: 0.8800 (tptp) REVERT: FO 13 ASP cc_start: 0.8619 (m-30) cc_final: 0.7688 (m-30) REVERT: FQ 1 MET cc_start: 0.7161 (ttm) cc_final: 0.6787 (ttm) REVERT: FR 9 LYS cc_start: 0.9154 (tppt) cc_final: 0.8941 (ttmm) REVERT: FS 2 GLU cc_start: 0.8804 (tp30) cc_final: 0.8343 (tp30) REVERT: FS 6 LYS cc_start: 0.9003 (ttmm) cc_final: 0.8748 (mmtm) REVERT: FS 9 LYS cc_start: 0.9171 (tptt) cc_final: 0.8725 (tptm) REVERT: FS 13 ASP cc_start: 0.8722 (m-30) cc_final: 0.7859 (m-30) REVERT: FT 6 LYS cc_start: 0.9358 (ptmt) cc_final: 0.9140 (ptpp) REVERT: FT 12 LYS cc_start: 0.9338 (tmmt) cc_final: 0.8962 (tmmt) REVERT: FW 1 MET cc_start: 0.7427 (pmm) cc_final: 0.6945 (pmm) REVERT: FW 2 GLU cc_start: 0.8750 (tp30) cc_final: 0.7718 (tp30) REVERT: FW 6 LYS cc_start: 0.9373 (mmtt) cc_final: 0.8704 (mmtp) REVERT: FX 1 MET cc_start: 0.7571 (mtp) cc_final: 0.7319 (mtp) REVERT: FX 12 LYS cc_start: 0.9267 (tmmt) cc_final: 0.9025 (tmmt) REVERT: FX 21 ASN cc_start: 0.7121 (p0) cc_final: 0.6858 (p0) REVERT: FZ 12 LYS cc_start: 0.9233 (ttpt) cc_final: 0.8587 (tptp) REVERT: F0 2 GLU cc_start: 0.8956 (tp30) cc_final: 0.8529 (tp30) REVERT: F0 13 ASP cc_start: 0.8717 (m-30) cc_final: 0.8466 (m-30) REVERT: F3 12 LYS cc_start: 0.9212 (tttt) cc_final: 0.8743 (tppt) REVERT: F3 13 ASP cc_start: 0.8961 (t0) cc_final: 0.8630 (t0) REVERT: F4 9 LYS cc_start: 0.9124 (tptt) cc_final: 0.8588 (tptm) REVERT: F4 13 ASP cc_start: 0.8557 (m-30) cc_final: 0.7489 (m-30) REVERT: F8 6 LYS cc_start: 0.9269 (mmtp) cc_final: 0.9028 (mttm) REVERT: F8 9 LYS cc_start: 0.9252 (tptm) cc_final: 0.8629 (tptm) REVERT: F8 13 ASP cc_start: 0.8778 (m-30) cc_final: 0.8071 (m-30) REVERT: F9 6 LYS cc_start: 0.9344 (ptmt) cc_final: 0.8978 (ptpp) REVERT: GB 1 MET cc_start: 0.7643 (ptt) cc_final: 0.7333 (ptm) REVERT: GB 12 LYS cc_start: 0.9258 (ttpt) cc_final: 0.8825 (tptp) REVERT: GC 9 LYS cc_start: 0.9208 (tptm) cc_final: 0.8704 (tptm) REVERT: GC 13 ASP cc_start: 0.8604 (m-30) cc_final: 0.7974 (m-30) REVERT: GD 6 LYS cc_start: 0.9241 (ptmt) cc_final: 0.8956 (ptpp) REVERT: GF 13 ASP cc_start: 0.8947 (t0) cc_final: 0.8432 (t0) REVERT: GG 2 GLU cc_start: 0.8759 (tp30) cc_final: 0.8131 (tp30) REVERT: GG 6 LYS cc_start: 0.9220 (mmtt) cc_final: 0.8871 (mmtt) REVERT: GH 21 ASN cc_start: 0.7626 (p0) cc_final: 0.7370 (p0) REVERT: GJ 2 GLU cc_start: 0.8736 (pm20) cc_final: 0.8354 (pm20) REVERT: GJ 15 LEU cc_start: 0.9647 (tp) cc_final: 0.9442 (tp) REVERT: GK 9 LYS cc_start: 0.9242 (tptm) cc_final: 0.9033 (tptm) REVERT: GL 6 LYS cc_start: 0.9251 (ptmt) cc_final: 0.9007 (ptpp) REVERT: GL 21 ASN cc_start: 0.7431 (p0) cc_final: 0.7170 (p0) REVERT: GM 2 GLU cc_start: 0.7591 (tm-30) cc_final: 0.7218 (tm-30) REVERT: GN 1 MET cc_start: 0.7322 (ptt) cc_final: 0.7035 (ptm) REVERT: GN 2 GLU cc_start: 0.8448 (pm20) cc_final: 0.8127 (pm20) REVERT: GO 9 LYS cc_start: 0.9260 (tptt) cc_final: 0.9003 (tptt) REVERT: GP 13 ASP cc_start: 0.8749 (t0) cc_final: 0.8544 (t0) REVERT: GQ 1 MET cc_start: 0.7120 (tmm) cc_final: 0.6855 (tmm) REVERT: GR 12 LYS cc_start: 0.9263 (tttm) cc_final: 0.8761 (tptp) REVERT: GS 2 GLU cc_start: 0.8956 (tp30) cc_final: 0.8473 (tp30) REVERT: GS 6 LYS cc_start: 0.9211 (mttm) cc_final: 0.8811 (mmtm) REVERT: GS 9 LYS cc_start: 0.9194 (tptm) cc_final: 0.8761 (tptm) REVERT: GS 13 ASP cc_start: 0.8657 (m-30) cc_final: 0.8344 (m-30) REVERT: GT 1 MET cc_start: 0.6867 (mtm) cc_final: 0.6656 (mtm) REVERT: GT 13 ASP cc_start: 0.8869 (t0) cc_final: 0.8591 (t0) REVERT: GU 1 MET cc_start: 0.7055 (tmm) cc_final: 0.6830 (tmm) REVERT: GW 9 LYS cc_start: 0.9157 (tptm) cc_final: 0.8941 (tptm) REVERT: GW 13 ASP cc_start: 0.8538 (m-30) cc_final: 0.8200 (m-30) REVERT: GX 12 LYS cc_start: 0.9257 (tmmt) cc_final: 0.9013 (tmmt) REVERT: GX 13 ASP cc_start: 0.8865 (t0) cc_final: 0.8647 (t0) REVERT: GY 2 GLU cc_start: 0.7283 (tm-30) cc_final: 0.6983 (pp20) REVERT: G0 2 GLU cc_start: 0.8688 (tp30) cc_final: 0.7837 (tp30) REVERT: G0 6 LYS cc_start: 0.9269 (mmtm) cc_final: 0.8832 (mmtt) REVERT: G0 13 ASP cc_start: 0.8693 (m-30) cc_final: 0.8174 (m-30) REVERT: G1 6 LYS cc_start: 0.9410 (ptmt) cc_final: 0.9077 (ptpp) REVERT: G3 12 LYS cc_start: 0.9363 (ttpt) cc_final: 0.8900 (tppt) REVERT: G4 1 MET cc_start: 0.7587 (pmm) cc_final: 0.7056 (pmm) REVERT: G4 2 GLU cc_start: 0.8791 (tp30) cc_final: 0.8454 (tp30) REVERT: G4 9 LYS cc_start: 0.9248 (tppp) cc_final: 0.8740 (tptt) REVERT: G5 6 LYS cc_start: 0.9286 (ptmt) cc_final: 0.8972 (ptpp) REVERT: G5 21 ASN cc_start: 0.7608 (p0) cc_final: 0.7332 (p0) REVERT: G7 19 LEU cc_start: 0.8919 (mt) cc_final: 0.8660 (mt) REVERT: G8 2 GLU cc_start: 0.8496 (tp30) cc_final: 0.8154 (tp30) REVERT: G8 6 LYS cc_start: 0.9109 (mmtm) cc_final: 0.8897 (mmtm) REVERT: G9 6 LYS cc_start: 0.9254 (ptpt) cc_final: 0.8808 (ptpp) REVERT: G9 12 LYS cc_start: 0.9427 (tmmt) cc_final: 0.9047 (tmmt) REVERT: G9 21 ASN cc_start: 0.7665 (p0) cc_final: 0.7349 (p0) REVERT: HC 2 GLU cc_start: 0.8842 (tp30) cc_final: 0.8623 (tp30) REVERT: HC 6 LYS cc_start: 0.9453 (mmtm) cc_final: 0.9153 (mmtm) REVERT: HC 9 LYS cc_start: 0.9249 (tptt) cc_final: 0.8947 (tptm) REVERT: HD 1 MET cc_start: 0.7169 (mtm) cc_final: 0.6853 (mtm) REVERT: HD 13 ASP cc_start: 0.8821 (t0) cc_final: 0.8551 (t0) REVERT: HE 1 MET cc_start: 0.7008 (OUTLIER) cc_final: 0.6391 (ttm) REVERT: HH 11 PHE cc_start: 0.8967 (OUTLIER) cc_final: 0.8509 (m-10) REVERT: HJ 13 ASP cc_start: 0.8881 (t0) cc_final: 0.8356 (t0) REVERT: HK 9 LYS cc_start: 0.9234 (tptt) cc_final: 0.8630 (tptp) REVERT: HK 13 ASP cc_start: 0.8709 (m-30) cc_final: 0.7379 (m-30) REVERT: HL 1 MET cc_start: 0.6987 (mtm) cc_final: 0.6740 (mtm) REVERT: HL 13 ASP cc_start: 0.8827 (t0) cc_final: 0.8557 (t0) REVERT: HM 1 MET cc_start: 0.6940 (tmm) cc_final: 0.6677 (tmm) REVERT: HM 2 GLU cc_start: 0.7455 (tm-30) cc_final: 0.7166 (tm-30) REVERT: HN 1 MET cc_start: 0.7468 (ptt) cc_final: 0.6922 (ptm) REVERT: HN 2 GLU cc_start: 0.8237 (pm20) cc_final: 0.7656 (pm20) REVERT: HN 12 LYS cc_start: 0.9174 (tttm) cc_final: 0.8917 (tppt) REVERT: HO 9 LYS cc_start: 0.9322 (tptt) cc_final: 0.8740 (tptm) REVERT: HO 13 ASP cc_start: 0.8587 (m-30) cc_final: 0.7680 (m-30) REVERT: HR 13 ASP cc_start: 0.8999 (t0) cc_final: 0.8777 (t0) REVERT: HS 6 LYS cc_start: 0.9337 (mmtt) cc_final: 0.9116 (mmtt) REVERT: HS 13 ASP cc_start: 0.8782 (m-30) cc_final: 0.7962 (m-30) REVERT: HT 1 MET cc_start: 0.7146 (mtm) cc_final: 0.6936 (mtm) REVERT: HT 12 LYS cc_start: 0.9361 (tmmt) cc_final: 0.9041 (tmmt) REVERT: HW 2 GLU cc_start: 0.8509 (tp30) cc_final: 0.8222 (tp30) REVERT: HW 6 LYS cc_start: 0.9145 (mmtm) cc_final: 0.8877 (mmtm) REVERT: HW 9 LYS cc_start: 0.9220 (tptt) cc_final: 0.8718 (tptt) REVERT: HW 13 ASP cc_start: 0.8646 (m-30) cc_final: 0.8085 (m-30) REVERT: HX 6 LYS cc_start: 0.9367 (ptmt) cc_final: 0.9071 (ptpp) REVERT: HY 2 GLU cc_start: 0.8697 (tp30) cc_final: 0.8307 (tp30) REVERT: HZ 9 LYS cc_start: 0.9138 (tppt) cc_final: 0.8927 (ttmm) REVERT: HZ 11 PHE cc_start: 0.9159 (m-10) cc_final: 0.8842 (m-80) REVERT: H0 2 GLU cc_start: 0.8860 (tp30) cc_final: 0.8378 (tp30) REVERT: H0 6 LYS cc_start: 0.9394 (mmtt) cc_final: 0.9069 (mmtt) REVERT: H0 9 LYS cc_start: 0.9292 (tptt) cc_final: 0.8939 (tptt) REVERT: H1 6 LYS cc_start: 0.9285 (ptpt) cc_final: 0.9070 (ptpp) REVERT: H1 12 LYS cc_start: 0.9290 (tmmt) cc_final: 0.9038 (tmmt) REVERT: H1 21 ASN cc_start: 0.7419 (p0) cc_final: 0.7136 (p0) REVERT: H3 12 LYS cc_start: 0.9214 (ttpt) cc_final: 0.8648 (tppt) REVERT: H4 2 GLU cc_start: 0.8927 (tp30) cc_final: 0.8292 (tp30) REVERT: H4 6 LYS cc_start: 0.9355 (mmtt) cc_final: 0.8908 (mmtt) REVERT: H4 9 LYS cc_start: 0.9204 (tptt) cc_final: 0.8550 (tptt) REVERT: H4 13 ASP cc_start: 0.8628 (m-30) cc_final: 0.7837 (m-30) REVERT: H5 12 LYS cc_start: 0.9359 (tmmt) cc_final: 0.9092 (tmmt) REVERT: H6 1 MET cc_start: 0.6627 (ttp) cc_final: 0.6232 (ttm) REVERT: H7 12 LYS cc_start: 0.9184 (ttpt) cc_final: 0.8779 (tptp) REVERT: H8 9 LYS cc_start: 0.9236 (tptm) cc_final: 0.8779 (tptt) REVERT: H9 6 LYS cc_start: 0.9263 (ptmt) cc_final: 0.8927 (ptmt) REVERT: H9 21 ASN cc_start: 0.7626 (p0) cc_final: 0.7326 (p0) REVERT: IB 12 LYS cc_start: 0.9209 (OUTLIER) cc_final: 0.8650 (tppt) REVERT: IC 1 MET cc_start: 0.7225 (pmm) cc_final: 0.6654 (pmm) REVERT: IC 9 LYS cc_start: 0.9218 (tptt) cc_final: 0.8754 (tptp) REVERT: IC 13 ASP cc_start: 0.8507 (m-30) cc_final: 0.7552 (m-30) REVERT: ID 1 MET cc_start: 0.7077 (mtm) cc_final: 0.6721 (mtm) REVERT: ID 6 LYS cc_start: 0.9328 (ptmt) cc_final: 0.9112 (ptpp) REVERT: IF 12 LYS cc_start: 0.9072 (tttm) cc_final: 0.8587 (tptp) REVERT: II 1 MET cc_start: 0.6924 (tmm) cc_final: 0.6616 (tmm) REVERT: IJ 12 LYS cc_start: 0.9166 (ttpt) cc_final: 0.8631 (tppt) REVERT: IJ 13 ASP cc_start: 0.9008 (t0) cc_final: 0.8642 (t0) REVERT: IK 9 LYS cc_start: 0.9199 (tptt) cc_final: 0.8695 (tptp) REVERT: IK 13 ASP cc_start: 0.8648 (m-30) cc_final: 0.7440 (m-30) REVERT: IL 6 LYS cc_start: 0.9263 (ptpt) cc_final: 0.9060 (ptpp) REVERT: IL 11 PHE cc_start: 0.8882 (OUTLIER) cc_final: 0.8617 (m-10) REVERT: IL 21 ASN cc_start: 0.7514 (p0) cc_final: 0.7237 (p0) REVERT: IN 9 LYS cc_start: 0.9346 (tppt) cc_final: 0.9111 (ttmm) REVERT: IN 12 LYS cc_start: 0.9280 (ttpt) cc_final: 0.8738 (tptp) REVERT: IO 1 MET cc_start: 0.7612 (pmm) cc_final: 0.7404 (pmm) REVERT: IO 2 GLU cc_start: 0.8841 (tp30) cc_final: 0.8618 (tp30) REVERT: IO 6 LYS cc_start: 0.9200 (mttm) cc_final: 0.8991 (mtpp) REVERT: IO 9 LYS cc_start: 0.9272 (tptt) cc_final: 0.8780 (tptm) REVERT: IO 13 ASP cc_start: 0.8763 (m-30) cc_final: 0.8049 (m-30) REVERT: IO 15 LEU cc_start: 0.8069 (OUTLIER) cc_final: 0.7759 (tp) REVERT: IP 1 MET cc_start: 0.7446 (mtm) cc_final: 0.7031 (mtm) REVERT: IP 6 LYS cc_start: 0.9293 (ptpt) cc_final: 0.8965 (ptpp) REVERT: IP 13 ASP cc_start: 0.8827 (t0) cc_final: 0.8614 (t0) REVERT: IR 2 GLU cc_start: 0.8308 (pm20) cc_final: 0.8001 (pm20) REVERT: IR 12 LYS cc_start: 0.9125 (tttt) cc_final: 0.8652 (tptp) REVERT: IS 2 GLU cc_start: 0.8760 (tp30) cc_final: 0.8516 (tp30) REVERT: IS 9 LYS cc_start: 0.9237 (tptt) cc_final: 0.8985 (tptm) REVERT: IT 1 MET cc_start: 0.7262 (mtm) cc_final: 0.7055 (mtm) REVERT: IT 6 LYS cc_start: 0.9303 (ptmt) cc_final: 0.8887 (ptmt) REVERT: IV 12 LYS cc_start: 0.9253 (ttpp) cc_final: 0.8786 (tppt) REVERT: IW 2 GLU cc_start: 0.8792 (tp30) cc_final: 0.8481 (tp30) REVERT: IW 13 ASP cc_start: 0.8933 (m-30) cc_final: 0.8703 (m-30) REVERT: IZ 12 LYS cc_start: 0.9148 (tttm) cc_final: 0.8751 (tppt) REVERT: I0 9 LYS cc_start: 0.9246 (tptm) cc_final: 0.9019 (tptm) REVERT: I0 13 ASP cc_start: 0.8556 (m-30) cc_final: 0.8316 (m-30) REVERT: I3 12 LYS cc_start: 0.9138 (ttpp) cc_final: 0.8644 (tppt) REVERT: I3 13 ASP cc_start: 0.8850 (t0) cc_final: 0.8328 (t0) REVERT: I4 9 LYS cc_start: 0.9214 (tptt) cc_final: 0.8937 (tptp) REVERT: I5 12 LYS cc_start: 0.9241 (tmmt) cc_final: 0.8997 (tmmt) REVERT: I7 12 LYS cc_start: 0.9070 (tttt) cc_final: 0.8763 (tppt) REVERT: I8 2 GLU cc_start: 0.8858 (tp30) cc_final: 0.8382 (tp30) REVERT: I8 6 LYS cc_start: 0.9151 (mmtm) cc_final: 0.8854 (mmtp) REVERT: I9 6 LYS cc_start: 0.9212 (ptmt) cc_final: 0.8925 (ptpp) REVERT: JC 9 LYS cc_start: 0.9072 (tptt) cc_final: 0.8735 (tptm) REVERT: JC 13 ASP cc_start: 0.8729 (m-30) cc_final: 0.7702 (m-30) REVERT: JD 12 LYS cc_start: 0.9366 (tmmt) cc_final: 0.9083 (tmmt) REVERT: JF 12 LYS cc_start: 0.9265 (tttm) cc_final: 0.8933 (tppt) REVERT: JG 2 GLU cc_start: 0.8637 (tp30) cc_final: 0.8421 (tp30) REVERT: JG 9 LYS cc_start: 0.9286 (tptm) cc_final: 0.8856 (tppt) REVERT: JG 13 ASP cc_start: 0.8851 (m-30) cc_final: 0.8496 (m-30) REVERT: JH 12 LYS cc_start: 0.9344 (tmmt) cc_final: 0.9040 (ttpt) REVERT: JJ 13 ASP cc_start: 0.8978 (t0) cc_final: 0.8353 (t0) REVERT: JJ 15 LEU cc_start: 0.9586 (tp) cc_final: 0.9299 (tp) REVERT: JK 2 GLU cc_start: 0.8596 (tp30) cc_final: 0.8353 (tp30) REVERT: JL 13 ASP cc_start: 0.8849 (t70) cc_final: 0.8502 (t0) REVERT: JN 11 PHE cc_start: 0.9207 (m-10) cc_final: 0.8936 (m-80) REVERT: JO 2 GLU cc_start: 0.8818 (tp30) cc_final: 0.8442 (tp30) REVERT: JO 6 LYS cc_start: 0.9416 (mmtt) cc_final: 0.9206 (mmtt) REVERT: JO 9 LYS cc_start: 0.9188 (tptm) cc_final: 0.8553 (tptm) REVERT: JO 13 ASP cc_start: 0.8750 (m-30) cc_final: 0.7944 (m-30) REVERT: JP 6 LYS cc_start: 0.9381 (ptmt) cc_final: 0.9158 (ptpp) REVERT: JP 12 LYS cc_start: 0.9404 (tmmt) cc_final: 0.9141 (tmmt) REVERT: JP 13 ASP cc_start: 0.8810 (t0) cc_final: 0.8487 (t0) REVERT: JR 12 LYS cc_start: 0.9242 (tttt) cc_final: 0.8836 (tptp) REVERT: JR 13 ASP cc_start: 0.9005 (t0) cc_final: 0.8638 (t0) REVERT: JS 9 LYS cc_start: 0.9258 (tptt) cc_final: 0.8857 (tptt) REVERT: JS 13 ASP cc_start: 0.8554 (m-30) cc_final: 0.7955 (m-30) REVERT: JV 12 LYS cc_start: 0.8795 (OUTLIER) cc_final: 0.8538 (tptp) REVERT: JW 9 LYS cc_start: 0.9064 (tptt) cc_final: 0.8647 (tptm) REVERT: JW 13 ASP cc_start: 0.8578 (m-30) cc_final: 0.7627 (m-30) REVERT: JX 1 MET cc_start: 0.7233 (mtm) cc_final: 0.7024 (mtm) REVERT: JX 13 ASP cc_start: 0.8772 (t0) cc_final: 0.8433 (t0) REVERT: JZ 12 LYS cc_start: 0.9323 (ttpt) cc_final: 0.8868 (tptp) REVERT: JZ 13 ASP cc_start: 0.8940 (t0) cc_final: 0.8537 (t0) REVERT: J0 17 LYS cc_start: 0.9240 (mtpp) cc_final: 0.8975 (mtpt) REVERT: J1 13 ASP cc_start: 0.8828 (t0) cc_final: 0.8592 (t70) REVERT: J3 12 LYS cc_start: 0.9095 (tmmt) cc_final: 0.8607 (tppt) REVERT: J3 13 ASP cc_start: 0.9030 (t0) cc_final: 0.8737 (t0) REVERT: J4 13 ASP cc_start: 0.8544 (m-30) cc_final: 0.8241 (m-30) REVERT: J5 13 ASP cc_start: 0.8901 (t0) cc_final: 0.8664 (t0) REVERT: J6 1 MET cc_start: 0.6576 (tmm) cc_final: 0.6336 (tmm) REVERT: J6 2 GLU cc_start: 0.7461 (tm-30) cc_final: 0.7107 (tm-30) REVERT: J8 9 LYS cc_start: 0.9178 (tptt) cc_final: 0.8746 (tptm) REVERT: J8 13 ASP cc_start: 0.8572 (m-30) cc_final: 0.7958 (m-30) REVERT: KB 13 ASP cc_start: 0.8953 (t0) cc_final: 0.8490 (t0) REVERT: KC 9 LYS cc_start: 0.9212 (tptt) cc_final: 0.8616 (tptm) REVERT: KC 13 ASP cc_start: 0.8702 (m-30) cc_final: 0.7446 (m-30) REVERT: KD 6 LYS cc_start: 0.9394 (ptpt) cc_final: 0.9006 (ptpp) REVERT: KD 13 ASP cc_start: 0.8931 (t0) cc_final: 0.8508 (t0) REVERT: KF 13 ASP cc_start: 0.8732 (t0) cc_final: 0.8299 (t0) REVERT: KG 2 GLU cc_start: 0.8719 (tp30) cc_final: 0.8014 (tp30) REVERT: KG 6 LYS cc_start: 0.9361 (mmtt) cc_final: 0.8918 (mmtt) REVERT: KH 1 MET cc_start: 0.7033 (mtm) cc_final: 0.6293 (mtm) REVERT: KH 6 LYS cc_start: 0.9050 (ptpp) cc_final: 0.8825 (ptmm) REVERT: KJ 2 GLU cc_start: 0.8463 (pm20) cc_final: 0.7710 (pm20) REVERT: KJ 13 ASP cc_start: 0.8842 (t0) cc_final: 0.8170 (t0) REVERT: KK 9 LYS cc_start: 0.9131 (tptt) cc_final: 0.8855 (tptm) REVERT: KK 13 ASP cc_start: 0.8662 (m-30) cc_final: 0.8020 (m-30) REVERT: KL 6 LYS cc_start: 0.9384 (ptpt) cc_final: 0.9060 (pttt) REVERT: KM 9 LYS cc_start: 0.9280 (tppt) cc_final: 0.8664 (tppt) REVERT: KN 13 ASP cc_start: 0.8987 (t0) cc_final: 0.8554 (t0) REVERT: KO 9 LYS cc_start: 0.9221 (tptt) cc_final: 0.8679 (tptm) REVERT: KO 13 ASP cc_start: 0.8557 (m-30) cc_final: 0.7629 (m-30) REVERT: KP 12 LYS cc_start: 0.9368 (tmmt) cc_final: 0.8982 (tmmt) REVERT: KR 12 LYS cc_start: 0.9241 (ttpt) cc_final: 0.8797 (tppt) REVERT: KS 9 LYS cc_start: 0.9173 (tptm) cc_final: 0.8917 (tptm) REVERT: KS 13 ASP cc_start: 0.8757 (m-30) cc_final: 0.8405 (m-30) REVERT: KT 6 LYS cc_start: 0.9287 (ptpt) cc_final: 0.9068 (ptpp) REVERT: KV 13 ASP cc_start: 0.8959 (t0) cc_final: 0.8568 (t0) REVERT: KW 1 MET cc_start: 0.7768 (pmm) cc_final: 0.7177 (pmm) REVERT: KW 13 ASP cc_start: 0.8719 (m-30) cc_final: 0.8485 (m-30) REVERT: KZ 12 LYS cc_start: 0.9171 (tttm) cc_final: 0.8600 (tptp) REVERT: K0 2 GLU cc_start: 0.8860 (tp30) cc_final: 0.8555 (tp30) REVERT: K0 6 LYS cc_start: 0.9342 (mmtt) cc_final: 0.8957 (mmtm) REVERT: K0 13 ASP cc_start: 0.8797 (m-30) cc_final: 0.8466 (m-30) REVERT: K0 15 LEU cc_start: 0.8401 (OUTLIER) cc_final: 0.7887 (tt) REVERT: K1 1 MET cc_start: 0.7170 (mtm) cc_final: 0.6842 (mtm) REVERT: K1 6 LYS cc_start: 0.9374 (ptmt) cc_final: 0.8986 (ptpp) REVERT: K1 13 ASP cc_start: 0.8839 (t0) cc_final: 0.8564 (t0) REVERT: K3 9 LYS cc_start: 0.9284 (tppt) cc_final: 0.9043 (ttmm) REVERT: K3 12 LYS cc_start: 0.9175 (tttm) cc_final: 0.8940 (tppt) REVERT: K4 9 LYS cc_start: 0.9332 (tptm) cc_final: 0.8919 (tptp) REVERT: K4 13 ASP cc_start: 0.8692 (m-30) cc_final: 0.8245 (m-30) REVERT: K5 6 LYS cc_start: 0.9196 (ptmt) cc_final: 0.8981 (ptpp) REVERT: K7 13 ASP cc_start: 0.9003 (t0) cc_final: 0.8773 (t0) REVERT: K8 9 LYS cc_start: 0.9288 (tptt) cc_final: 0.8905 (tptp) REVERT: K8 13 ASP cc_start: 0.8577 (m-30) cc_final: 0.7301 (m-30) REVERT: K9 21 ASN cc_start: 0.7408 (OUTLIER) cc_final: 0.7182 (p0) REVERT: LB 12 LYS cc_start: 0.9105 (ttpt) cc_final: 0.8531 (tppt) REVERT: LD 1 MET cc_start: 0.6941 (mtm) cc_final: 0.6702 (mtm) REVERT: LE 3 PHE cc_start: 0.9070 (m-80) cc_final: 0.8621 (m-10) REVERT: LF 2 GLU cc_start: 0.8149 (pm20) cc_final: 0.7851 (pm20) REVERT: LF 13 ASP cc_start: 0.8950 (t0) cc_final: 0.8695 (t0) REVERT: LG 1 MET cc_start: 0.7170 (pmm) cc_final: 0.6496 (pmm) REVERT: LG 9 LYS cc_start: 0.9207 (tptt) cc_final: 0.8973 (tptt) REVERT: LH 6 LYS cc_start: 0.9266 (ptpp) cc_final: 0.8968 (ptmm) REVERT: LJ 13 ASP cc_start: 0.8800 (t0) cc_final: 0.8150 (t70) REVERT: LK 2 GLU cc_start: 0.8876 (tp30) cc_final: 0.8289 (tp30) REVERT: LK 6 LYS cc_start: 0.9434 (mmtt) cc_final: 0.9119 (mmtt) REVERT: LK 9 LYS cc_start: 0.9103 (tptm) cc_final: 0.8544 (tptt) REVERT: LK 13 ASP cc_start: 0.8757 (m-30) cc_final: 0.7968 (m-30) REVERT: LL 6 LYS cc_start: 0.9348 (ptmt) cc_final: 0.9135 (ptpp) REVERT: LL 12 LYS cc_start: 0.9334 (tmmt) cc_final: 0.9084 (tmmt) REVERT: LL 21 ASN cc_start: 0.7300 (p0) cc_final: 0.7071 (p0) REVERT: LO 1 MET cc_start: 0.7552 (pmm) cc_final: 0.6705 (pmm) REVERT: LO 2 GLU cc_start: 0.8822 (tp30) cc_final: 0.8423 (tp30) REVERT: LO 9 LYS cc_start: 0.9237 (tptt) cc_final: 0.9009 (tptm) REVERT: LP 6 LYS cc_start: 0.9389 (ptmt) cc_final: 0.9144 (ptpp) REVERT: LS 9 LYS cc_start: 0.9187 (tptt) cc_final: 0.8854 (tptm) REVERT: LS 13 ASP cc_start: 0.8645 (m-30) cc_final: 0.7978 (m-30) REVERT: LT 1 MET cc_start: 0.7484 (mtm) cc_final: 0.6789 (mtm) REVERT: LT 12 LYS cc_start: 0.9408 (tmmt) cc_final: 0.9007 (tmmt) REVERT: LW 9 LYS cc_start: 0.9214 (tptt) cc_final: 0.8970 (tptm) REVERT: LX 6 LYS cc_start: 0.9319 (ptmt) cc_final: 0.9002 (ptpp) REVERT: LX 12 LYS cc_start: 0.9387 (tmmt) cc_final: 0.9051 (tmmt) REVERT: LY 18 PHE cc_start: 0.8740 (t80) cc_final: 0.8496 (t80) REVERT: LZ 12 LYS cc_start: 0.9092 (ttpt) cc_final: 0.8667 (tppt) REVERT: L0 9 LYS cc_start: 0.9299 (tptm) cc_final: 0.9012 (tptt) REVERT: L0 13 ASP cc_start: 0.8824 (m-30) cc_final: 0.8202 (m-30) REVERT: L2 1 MET cc_start: 0.7328 (ttp) cc_final: 0.6974 (ttp) REVERT: L2 2 GLU cc_start: 0.7082 (tm-30) cc_final: 0.6878 (tm-30) REVERT: L4 6 LYS cc_start: 0.9333 (mmtm) cc_final: 0.9079 (mtpp) REVERT: L4 9 LYS cc_start: 0.9241 (tptt) cc_final: 0.8723 (tptp) REVERT: L4 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.7647 (m-30) REVERT: L5 1 MET cc_start: 0.7209 (mtm) cc_final: 0.6984 (mtm) REVERT: L5 21 ASN cc_start: 0.7725 (OUTLIER) cc_final: 0.7477 (p0) REVERT: L6 1 MET cc_start: 0.6791 (tmm) cc_final: 0.6438 (tmm) REVERT: L7 11 PHE cc_start: 0.9112 (m-10) cc_final: 0.8867 (m-80) REVERT: L7 12 LYS cc_start: 0.9205 (ttpt) cc_final: 0.8665 (tppt) REVERT: L7 13 ASP cc_start: 0.9079 (t0) cc_final: 0.8573 (t0) REVERT: L8 9 LYS cc_start: 0.9282 (tptm) cc_final: 0.8539 (tptm) REVERT: L8 13 ASP cc_start: 0.8779 (m-30) cc_final: 0.8046 (m-30) REVERT: L8 15 LEU cc_start: 0.8272 (OUTLIER) cc_final: 0.8028 (tt) REVERT: L9 6 LYS cc_start: 0.9332 (ptpt) cc_final: 0.9002 (ptmt) REVERT: L9 12 LYS cc_start: 0.9338 (tmmt) cc_final: 0.9007 (tmmt) REVERT: L9 13 ASP cc_start: 0.8909 (t0) cc_final: 0.8625 (t0) REVERT: MB 9 LYS cc_start: 0.9236 (tppt) cc_final: 0.8991 (ttmm) REVERT: MC 2 GLU cc_start: 0.8895 (tp30) cc_final: 0.8485 (tp30) REVERT: MC 9 LYS cc_start: 0.9297 (tptt) cc_final: 0.8842 (tptm) REVERT: MC 13 ASP cc_start: 0.8730 (m-30) cc_final: 0.7974 (m-30) REVERT: MD 6 LYS cc_start: 0.9315 (ptmt) cc_final: 0.8948 (ptpp) REVERT: MD 12 LYS cc_start: 0.9406 (tmmt) cc_final: 0.9008 (tmmt) REVERT: MD 13 ASP cc_start: 0.8698 (t0) cc_final: 0.8461 (t0) REVERT: MF 2 GLU cc_start: 0.8365 (pm20) cc_final: 0.8144 (pm20) REVERT: MG 2 GLU cc_start: 0.8652 (tp30) cc_final: 0.8151 (tp30) REVERT: MG 6 LYS cc_start: 0.9339 (mmtp) cc_final: 0.8982 (mmtm) REVERT: MH 6 LYS cc_start: 0.9259 (ptmt) cc_final: 0.9026 (ptpp) REVERT: MH 13 ASP cc_start: 0.8875 (t0) cc_final: 0.8468 (t0) REVERT: MJ 13 ASP cc_start: 0.8866 (t0) cc_final: 0.8456 (t70) REVERT: MK 9 LYS cc_start: 0.9307 (tptm) cc_final: 0.9013 (tptt) REVERT: ML 6 LYS cc_start: 0.9291 (ptpt) cc_final: 0.9085 (ptpp) REVERT: ML 12 LYS cc_start: 0.9391 (tmmt) cc_final: 0.9066 (tmmt) REVERT: MN 12 LYS cc_start: 0.9137 (ttpt) cc_final: 0.8674 (tppt) REVERT: MO 2 GLU cc_start: 0.8997 (tp30) cc_final: 0.8672 (tp30) REVERT: MO 6 LYS cc_start: 0.9260 (mtpp) cc_final: 0.8946 (mtpp) REVERT: MO 9 LYS cc_start: 0.9176 (tptt) cc_final: 0.8809 (tptp) REVERT: MO 13 ASP cc_start: 0.8717 (m-30) cc_final: 0.8121 (m-30) REVERT: MR 11 PHE cc_start: 0.9014 (m-10) cc_final: 0.8680 (m-80) REVERT: MR 13 ASP cc_start: 0.8989 (t0) cc_final: 0.8583 (t0) REVERT: MS 9 LYS cc_start: 0.9229 (tptm) cc_final: 0.8887 (tptm) REVERT: MT 21 ASN cc_start: 0.7167 (p0) cc_final: 0.6851 (p0) REVERT: MW 13 ASP cc_start: 0.8683 (m-30) cc_final: 0.8454 (m-30) REVERT: MX 12 LYS cc_start: 0.9284 (tmmt) cc_final: 0.8979 (tmmt) REVERT: M0 2 GLU cc_start: 0.8843 (tp30) cc_final: 0.8254 (tp30) REVERT: M0 6 LYS cc_start: 0.9107 (ttmm) cc_final: 0.8819 (mmtp) REVERT: M0 9 LYS cc_start: 0.9130 (tptt) cc_final: 0.8736 (tptp) REVERT: M0 13 ASP cc_start: 0.8669 (m-30) cc_final: 0.7987 (m-30) REVERT: M1 6 LYS cc_start: 0.9277 (ptmt) cc_final: 0.8978 (ptpp) REVERT: M4 9 LYS cc_start: 0.9248 (tptt) cc_final: 0.8903 (tptt) REVERT: M5 12 LYS cc_start: 0.9392 (tttm) cc_final: 0.9082 (tmmt) REVERT: M5 21 ASN cc_start: 0.7592 (p0) cc_final: 0.7337 (p0) REVERT: M8 1 MET cc_start: 0.8065 (pmm) cc_final: 0.7095 (pmm) REVERT: M8 2 GLU cc_start: 0.8782 (tp30) cc_final: 0.8504 (tp30) REVERT: M8 9 LYS cc_start: 0.9243 (tptt) cc_final: 0.8474 (tptm) REVERT: M8 13 ASP cc_start: 0.8731 (m-30) cc_final: 0.7585 (m-30) REVERT: M9 6 LYS cc_start: 0.9297 (ptpt) cc_final: 0.9017 (ptpp) REVERT: M9 21 ASN cc_start: 0.7257 (p0) cc_final: 0.6895 (p0) REVERT: NB 12 LYS cc_start: 0.9265 (ttpt) cc_final: 0.8877 (tppt) REVERT: NC 9 LYS cc_start: 0.9276 (tptt) cc_final: 0.8848 (tptm) REVERT: NC 13 ASP cc_start: 0.8625 (m-30) cc_final: 0.7707 (m-30) REVERT: ND 6 LYS cc_start: 0.9327 (ptmt) cc_final: 0.8993 (ptpp) REVERT: ND 13 ASP cc_start: 0.8824 (t0) cc_final: 0.8542 (t0) REVERT: NF 13 ASP cc_start: 0.8982 (t0) cc_final: 0.8517 (t0) REVERT: NG 9 LYS cc_start: 0.9306 (tptm) cc_final: 0.9063 (tptm) REVERT: NK 1 MET cc_start: 0.7204 (pmm) cc_final: 0.6462 (pmm) REVERT: NL 6 LYS cc_start: 0.9290 (ptpt) cc_final: 0.8922 (pttt) REVERT: NL 13 ASP cc_start: 0.8859 (t0) cc_final: 0.8502 (t0) REVERT: NL 21 ASN cc_start: 0.7344 (p0) cc_final: 0.7137 (p0) REVERT: NM 2 GLU cc_start: 0.8023 (OUTLIER) cc_final: 0.7673 (tm-30) REVERT: NN 13 ASP cc_start: 0.8996 (t0) cc_final: 0.8358 (t0) REVERT: NO 2 GLU cc_start: 0.8801 (tp30) cc_final: 0.8302 (tp30) REVERT: NO 6 LYS cc_start: 0.9317 (mmtt) cc_final: 0.8950 (mmtt) REVERT: NO 9 LYS cc_start: 0.9200 (tptt) cc_final: 0.8662 (tptp) REVERT: NO 13 ASP cc_start: 0.8563 (m-30) cc_final: 0.7532 (m-30) REVERT: NO 18 PHE cc_start: 0.8645 (t80) cc_final: 0.8363 (t80) REVERT: NP 12 LYS cc_start: 0.9339 (tmmt) cc_final: 0.9136 (tmmt) REVERT: NR 12 LYS cc_start: 0.9293 (ttpt) cc_final: 0.8760 (tppt) REVERT: NT 6 LYS cc_start: 0.9282 (ptmt) cc_final: 0.8915 (ptpp) REVERT: NU 2 GLU cc_start: 0.7416 (tm-30) cc_final: 0.7210 (tm-30) REVERT: NX 1 MET cc_start: 0.7412 (mtm) cc_final: 0.7043 (mtm) REVERT: NZ 2 GLU cc_start: 0.8348 (pm20) cc_final: 0.8009 (pm20) REVERT: N0 9 LYS cc_start: 0.9196 (tptt) cc_final: 0.8614 (tptm) REVERT: N0 13 ASP cc_start: 0.8571 (m-30) cc_final: 0.7463 (m-30) REVERT: N3 12 LYS cc_start: 0.9184 (tttm) cc_final: 0.8767 (tppt) REVERT: N3 13 ASP cc_start: 0.8831 (t0) cc_final: 0.8305 (t0) REVERT: N4 6 LYS cc_start: 0.9231 (mmtp) cc_final: 0.8995 (mttm) REVERT: N5 11 PHE cc_start: 0.9011 (OUTLIER) cc_final: 0.8795 (m-80) REVERT: N7 12 LYS cc_start: 0.9222 (ttpt) cc_final: 0.8930 (tptm) REVERT: N8 9 LYS cc_start: 0.9129 (tptt) cc_final: 0.8818 (tptm) REVERT: N8 13 ASP cc_start: 0.8579 (m-30) cc_final: 0.8130 (m-30) REVERT: N9 9 LYS cc_start: 0.9213 (ttpt) cc_final: 0.8999 (ttmt) REVERT: N9 12 LYS cc_start: 0.9276 (tmmt) cc_final: 0.9022 (tmmt) REVERT: N9 13 ASP cc_start: 0.8853 (t0) cc_final: 0.8521 (t0) REVERT: N9 21 ASN cc_start: 0.7675 (OUTLIER) cc_final: 0.7363 (p0) REVERT: OC 9 LYS cc_start: 0.9318 (tptm) cc_final: 0.8704 (tptp) REVERT: OC 13 ASP cc_start: 0.8664 (m-30) cc_final: 0.7838 (m-30) REVERT: OC 15 LEU cc_start: 0.8094 (OUTLIER) cc_final: 0.7590 (tt) REVERT: OD 1 MET cc_start: 0.7123 (mtm) cc_final: 0.6745 (mtm) REVERT: OD 6 LYS cc_start: 0.9183 (ptmt) cc_final: 0.8965 (ptpp) REVERT: OD 13 ASP cc_start: 0.8825 (t0) cc_final: 0.8508 (t0) REVERT: OE 9 LYS cc_start: 0.9357 (tppt) cc_final: 0.9041 (tppt) REVERT: OF 12 LYS cc_start: 0.9144 (tttm) cc_final: 0.8911 (tppt) REVERT: OG 9 LYS cc_start: 0.9148 (tptt) cc_final: 0.8917 (tptp) REVERT: OH 6 LYS cc_start: 0.9304 (ptmt) cc_final: 0.8902 (ptmt) REVERT: OK 2 GLU cc_start: 0.8648 (tp30) cc_final: 0.8069 (tp30) REVERT: OK 6 LYS cc_start: 0.9341 (mttm) cc_final: 0.9005 (mttm) REVERT: OO 9 LYS cc_start: 0.9176 (tptt) cc_final: 0.8573 (tptt) REVERT: OO 13 ASP cc_start: 0.8606 (m-30) cc_final: 0.7560 (m-30) REVERT: OP 1 MET cc_start: 0.7210 (mtm) cc_final: 0.7003 (mtm) REVERT: OP 6 LYS cc_start: 0.9219 (ptmt) cc_final: 0.8927 (ptpp) REVERT: OP 13 ASP cc_start: 0.8843 (t70) cc_final: 0.8454 (t70) REVERT: OQ 1 MET cc_start: 0.7297 (ttp) cc_final: 0.6808 (tmm) REVERT: OR 13 ASP cc_start: 0.8904 (t0) cc_final: 0.8315 (t0) REVERT: OS 9 LYS cc_start: 0.9248 (tptm) cc_final: 0.8792 (tptt) REVERT: OS 13 ASP cc_start: 0.8578 (m-30) cc_final: 0.7768 (m-30) REVERT: OT 1 MET cc_start: 0.7111 (mtm) cc_final: 0.6792 (mtm) REVERT: OW 9 LYS cc_start: 0.9304 (tptm) cc_final: 0.8864 (tptt) REVERT: OX 6 LYS cc_start: 0.9299 (ptmt) cc_final: 0.8988 (ptpp) REVERT: OZ 12 LYS cc_start: 0.9191 (ttpt) cc_final: 0.8691 (tppt) REVERT: O0 9 LYS cc_start: 0.9118 (tptt) cc_final: 0.8761 (tptt) REVERT: O0 13 ASP cc_start: 0.8565 (m-30) cc_final: 0.7721 (m-30) REVERT: O1 12 LYS cc_start: 0.9310 (tmmt) cc_final: 0.9076 (tmmt) REVERT: O3 12 LYS cc_start: 0.9200 (ttpt) cc_final: 0.8732 (tppt) REVERT: O4 13 ASP cc_start: 0.8755 (m-30) cc_final: 0.8495 (m-30) REVERT: O4 15 LEU cc_start: 0.8293 (OUTLIER) cc_final: 0.8039 (tp) REVERT: O4 17 LYS cc_start: 0.9149 (mtpp) cc_final: 0.8841 (mtpp) REVERT: O5 6 LYS cc_start: 0.9285 (ptpt) cc_final: 0.9022 (pttt) REVERT: O5 13 ASP cc_start: 0.8827 (t0) cc_final: 0.8518 (t70) REVERT: O6 9 LYS cc_start: 0.9258 (tppt) cc_final: 0.9053 (tppt) REVERT: O7 13 ASP cc_start: 0.9059 (t0) cc_final: 0.8711 (t0) REVERT: O8 9 LYS cc_start: 0.9177 (tptt) cc_final: 0.8645 (tptt) REVERT: O8 13 ASP cc_start: 0.8576 (m-30) cc_final: 0.7630 (m-30) REVERT: O8 15 LEU cc_start: 0.8332 (OUTLIER) cc_final: 0.8105 (tp) REVERT: O9 21 ASN cc_start: 0.6999 (p0) cc_final: 0.6781 (p0) REVERT: PC 2 GLU cc_start: 0.8808 (tp30) cc_final: 0.8146 (tp30) REVERT: PC 6 LYS cc_start: 0.9147 (ttmm) cc_final: 0.8940 (mmtp) REVERT: PD 6 LYS cc_start: 0.9329 (ptmt) cc_final: 0.9127 (ptpp) REVERT: PF 12 LYS cc_start: 0.9148 (tttt) cc_final: 0.8764 (tppt) REVERT: PH 6 LYS cc_start: 0.9195 (ptpt) cc_final: 0.8784 (ptmm) REVERT: PJ 13 ASP cc_start: 0.8927 (t0) cc_final: 0.8276 (t0) REVERT: PL 6 LYS cc_start: 0.9278 (ptpt) cc_final: 0.8963 (ptpp) REVERT: PL 21 ASN cc_start: 0.7112 (p0) cc_final: 0.6787 (p0) REVERT: PO 9 LYS cc_start: 0.9164 (tptt) cc_final: 0.8827 (tptt) REVERT: PP 6 LYS cc_start: 0.9235 (ptmt) cc_final: 0.8971 (ptpp) REVERT: PR 1 MET cc_start: 0.6756 (ptt) cc_final: 0.6541 (ptm) REVERT: PS 9 LYS cc_start: 0.9284 (tptm) cc_final: 0.8901 (tptt) REVERT: PS 13 ASP cc_start: 0.8869 (m-30) cc_final: 0.8364 (m-30) REVERT: PV 12 LYS cc_start: 0.9224 (tttm) cc_final: 0.8743 (tppt) REVERT: PV 13 ASP cc_start: 0.9068 (t0) cc_final: 0.8502 (t70) REVERT: PW 9 LYS cc_start: 0.9224 (tptt) cc_final: 0.8783 (tptm) REVERT: PW 13 ASP cc_start: 0.8541 (m-30) cc_final: 0.7671 (m-30) REVERT: PX 6 LYS cc_start: 0.9284 (ptmt) cc_final: 0.8983 (ptpp) REVERT: PY 2 GLU cc_start: 0.8246 (tp30) cc_final: 0.7902 (tp30) REVERT: PZ 12 LYS cc_start: 0.9273 (ttpt) cc_final: 0.8893 (tppt) REVERT: P0 9 LYS cc_start: 0.9208 (tptt) cc_final: 0.8868 (tptm) REVERT: P0 13 ASP cc_start: 0.8616 (m-30) cc_final: 0.7779 (m-30) REVERT: P1 6 LYS cc_start: 0.9398 (ptpt) cc_final: 0.9148 (ptpp) REVERT: P2 2 GLU cc_start: 0.7706 (tm-30) cc_final: 0.7447 (tm-30) REVERT: P3 9 LYS cc_start: 0.9311 (tppt) cc_final: 0.9057 (ttmm) REVERT: P3 12 LYS cc_start: 0.9082 (tttt) cc_final: 0.8846 (tppt) REVERT: P4 2 GLU cc_start: 0.8914 (tp30) cc_final: 0.8395 (tp30) REVERT: P4 9 LYS cc_start: 0.9179 (tptm) cc_final: 0.8699 (tptm) REVERT: P4 13 ASP cc_start: 0.8671 (m-30) cc_final: 0.8081 (m-30) REVERT: P5 1 MET cc_start: 0.6926 (mtm) cc_final: 0.6686 (mtm) REVERT: P5 6 LYS cc_start: 0.9271 (ptmt) cc_final: 0.9051 (ptpp) REVERT: P5 12 LYS cc_start: 0.9357 (tmmt) cc_final: 0.9054 (tmmt) REVERT: P6 13 ASP cc_start: 0.8643 (OUTLIER) cc_final: 0.8432 (p0) REVERT: P8 2 GLU cc_start: 0.8612 (tp30) cc_final: 0.8409 (tp30) REVERT: P8 6 LYS cc_start: 0.9331 (mmtp) cc_final: 0.9123 (mmtm) REVERT: P8 9 LYS cc_start: 0.9132 (tptm) cc_final: 0.8748 (tptt) REVERT: P9 1 MET cc_start: 0.7399 (mtm) cc_final: 0.7152 (mtm) REVERT: QA 2 GLU cc_start: 0.7409 (tm-30) cc_final: 0.7004 (tm-30) REVERT: QC 9 LYS cc_start: 0.9266 (tptt) cc_final: 0.8893 (tptm) REVERT: QC 13 ASP cc_start: 0.8570 (m-30) cc_final: 0.7915 (m-30) REVERT: QD 6 LYS cc_start: 0.9298 (ptmt) cc_final: 0.9030 (ptpp) REVERT: QF 13 ASP cc_start: 0.8925 (t0) cc_final: 0.8309 (t0) REVERT: QG 9 LYS cc_start: 0.9256 (tptt) cc_final: 0.8769 (tptm) REVERT: QG 13 ASP cc_start: 0.8660 (m-30) cc_final: 0.7842 (m-30) REVERT: QH 6 LYS cc_start: 0.9333 (ptmt) cc_final: 0.8971 (ptpp) REVERT: QH 12 LYS cc_start: 0.9394 (tmmt) cc_final: 0.9078 (tmmt) REVERT: QJ 13 ASP cc_start: 0.9016 (t0) cc_final: 0.8395 (t0) REVERT: QM 2 GLU cc_start: 0.7605 (tm-30) cc_final: 0.7289 (tm-30) REVERT: QO 9 LYS cc_start: 0.9197 (tptt) cc_final: 0.8613 (tptt) REVERT: QO 13 ASP cc_start: 0.8515 (m-30) cc_final: 0.7528 (m-30) REVERT: QQ 3 PHE cc_start: 0.8778 (m-80) cc_final: 0.8448 (m-10) REVERT: QR 1 MET cc_start: 0.7728 (ptm) cc_final: 0.7346 (ptm) REVERT: QS 2 GLU cc_start: 0.8454 (tp30) cc_final: 0.8220 (tp30) REVERT: QS 13 ASP cc_start: 0.8563 (m-30) cc_final: 0.8265 (m-30) REVERT: QT 21 ASN cc_start: 0.7476 (p0) cc_final: 0.7242 (p0) REVERT: QU 2 GLU cc_start: 0.7292 (tm-30) cc_final: 0.6878 (tm-30) REVERT: QV 2 GLU cc_start: 0.8122 (pm20) cc_final: 0.7693 (pm20) REVERT: QV 13 ASP cc_start: 0.8813 (t0) cc_final: 0.8347 (t0) REVERT: QX 1 MET cc_start: 0.7315 (mtm) cc_final: 0.6983 (mtm) REVERT: QX 6 LYS cc_start: 0.9183 (ptmt) cc_final: 0.8723 (ptpp) REVERT: QX 13 ASP cc_start: 0.8787 (t0) cc_final: 0.8505 (t0) REVERT: QX 21 ASN cc_start: 0.7470 (p0) cc_final: 0.7105 (p0) REVERT: QZ 12 LYS cc_start: 0.9106 (ttpt) cc_final: 0.8639 (tppt) REVERT: Q0 9 LYS cc_start: 0.9246 (tptt) cc_final: 0.8943 (tptm) REVERT: Q1 1 MET cc_start: 0.7163 (mtm) cc_final: 0.6898 (mtm) REVERT: Q1 13 ASP cc_start: 0.8921 (t0) cc_final: 0.8561 (t0) REVERT: Q1 21 ASN cc_start: 0.7443 (p0) cc_final: 0.7157 (p0) REVERT: Q4 2 GLU cc_start: 0.8909 (tp30) cc_final: 0.8248 (tp30) REVERT: Q4 6 LYS cc_start: 0.9396 (mmtt) cc_final: 0.9019 (mmtm) REVERT: Q4 9 LYS cc_start: 0.9174 (tptt) cc_final: 0.8954 (tptp) REVERT: Q7 12 LYS cc_start: 0.9167 (ttpt) cc_final: 0.8623 (tptp) REVERT: Q8 2 GLU cc_start: 0.8790 (tp30) cc_final: 0.7833 (tp30) REVERT: Q8 6 LYS cc_start: 0.9093 (ttmm) cc_final: 0.8867 (mmtp) REVERT: Q8 9 LYS cc_start: 0.9240 (tptt) cc_final: 0.8839 (tptt) REVERT: Q8 13 ASP cc_start: 0.8672 (m-30) cc_final: 0.8051 (m-30) REVERT: Q9 1 MET cc_start: 0.7410 (mtm) cc_final: 0.7110 (mtm) REVERT: RB 13 ASP cc_start: 0.9047 (t0) cc_final: 0.8483 (t0) REVERT: RC 9 LYS cc_start: 0.9177 (tptt) cc_final: 0.8803 (tptp) REVERT: RC 13 ASP cc_start: 0.8647 (m-30) cc_final: 0.7429 (m-30) REVERT: RD 6 LYS cc_start: 0.9271 (ptmt) cc_final: 0.8992 (ptpp) REVERT: RF 1 MET cc_start: 0.7099 (ptt) cc_final: 0.6892 (ptt) REVERT: RG 9 LYS cc_start: 0.9288 (tptt) cc_final: 0.9031 (tptm) REVERT: RG 13 ASP cc_start: 0.8617 (m-30) cc_final: 0.8072 (m-30) REVERT: RJ 12 LYS cc_start: 0.9079 (tttm) cc_final: 0.8703 (tptp) REVERT: RL 13 ASP cc_start: 0.8923 (t0) cc_final: 0.8599 (t0) REVERT: RM 1 MET cc_start: 0.6118 (tmm) cc_final: 0.5913 (tmm) REVERT: RM 9 LYS cc_start: 0.9318 (tppt) cc_final: 0.8952 (tppt) REVERT: RO 9 LYS cc_start: 0.9219 (tptt) cc_final: 0.8810 (tptm) REVERT: RO 13 ASP cc_start: 0.8756 (m-30) cc_final: 0.7904 (m-30) REVERT: RP 6 LYS cc_start: 0.9346 (ptmt) cc_final: 0.9114 (ptpp) REVERT: RQ 13 ASP cc_start: 0.8412 (OUTLIER) cc_final: 0.8143 (p0) REVERT: RR 12 LYS cc_start: 0.9192 (tttm) cc_final: 0.8698 (tppt) REVERT: RT 6 LYS cc_start: 0.9342 (ptmt) cc_final: 0.9096 (ptpp) REVERT: RV 2 GLU cc_start: 0.8256 (pm20) cc_final: 0.8017 (pm20) REVERT: RV 12 LYS cc_start: 0.9129 (tttt) cc_final: 0.8594 (tptp) REVERT: RW 1 MET cc_start: 0.3357 (OUTLIER) cc_final: 0.2273 (mmt) REVERT: RW 9 LYS cc_start: 0.9313 (tptt) cc_final: 0.8998 (tptm) REVERT: RW 13 ASP cc_start: 0.8566 (m-30) cc_final: 0.7978 (m-30) REVERT: RX 6 LYS cc_start: 0.9329 (ptpt) cc_final: 0.9089 (ptpp) REVERT: RX 21 ASN cc_start: 0.7269 (p0) cc_final: 0.7039 (p0) REVERT: R0 2 GLU cc_start: 0.8783 (tp30) cc_final: 0.8301 (tp30) REVERT: R0 6 LYS cc_start: 0.9362 (mmtt) cc_final: 0.9109 (mmtm) REVERT: R1 6 LYS cc_start: 0.9307 (ptmt) cc_final: 0.9023 (ptpp) REVERT: R3 9 LYS cc_start: 0.9273 (tppt) cc_final: 0.9004 (ttmm) REVERT: R4 2 GLU cc_start: 0.8602 (tp30) cc_final: 0.8319 (tp30) REVERT: R4 9 LYS cc_start: 0.9246 (tptm) cc_final: 0.8953 (tptm) REVERT: R4 13 ASP cc_start: 0.8791 (m-30) cc_final: 0.8436 (m-30) REVERT: R5 6 LYS cc_start: 0.9290 (ptmt) cc_final: 0.8962 (ptmt) REVERT: R8 9 LYS cc_start: 0.9239 (tptm) cc_final: 0.8614 (tptp) REVERT: R8 13 ASP cc_start: 0.8747 (m-30) cc_final: 0.7980 (m-30) REVERT: R8 18 PHE cc_start: 0.8753 (t80) cc_final: 0.8521 (t80) REVERT: SB 9 LYS cc_start: 0.9150 (tppt) cc_final: 0.8928 (ttmm) REVERT: SC 2 GLU cc_start: 0.8652 (tp30) cc_final: 0.8313 (tp30) REVERT: SC 9 LYS cc_start: 0.9204 (tptt) cc_final: 0.8791 (tptm) REVERT: SC 13 ASP cc_start: 0.8561 (m-30) cc_final: 0.7878 (m-30) REVERT: SD 6 LYS cc_start: 0.9314 (ptmt) cc_final: 0.8898 (ptpp) REVERT: SD 13 ASP cc_start: 0.8886 (t0) cc_final: 0.8640 (t0) REVERT: SF 13 ASP cc_start: 0.8928 (t0) cc_final: 0.8503 (t0) REVERT: SG 2 GLU cc_start: 0.9004 (tp30) cc_final: 0.8534 (tp30) REVERT: SG 6 LYS cc_start: 0.9396 (mmtt) cc_final: 0.9108 (mmtm) REVERT: SI 2 GLU cc_start: 0.8489 (tp30) cc_final: 0.8139 (tp30) REVERT: SI 9 LYS cc_start: 0.9385 (tppt) cc_final: 0.9173 (tppt) REVERT: SJ 9 LYS cc_start: 0.9150 (tppt) cc_final: 0.8934 (ttmm) REVERT: SJ 12 LYS cc_start: 0.9217 (tttm) cc_final: 0.8700 (tptp) REVERT: SK 2 GLU cc_start: 0.8726 (tp30) cc_final: 0.7548 (tp30) REVERT: SK 6 LYS cc_start: 0.9324 (mmtm) cc_final: 0.8902 (mmtp) REVERT: SK 13 ASP cc_start: 0.8595 (m-30) cc_final: 0.8335 (m-30) REVERT: SL 6 LYS cc_start: 0.9189 (ptmt) cc_final: 0.8936 (ptpp) REVERT: SO 2 GLU cc_start: 0.8740 (tp30) cc_final: 0.8217 (tp30) REVERT: SO 6 LYS cc_start: 0.9234 (mmtp) cc_final: 0.9020 (mmtp) REVERT: SO 9 LYS cc_start: 0.9292 (tptm) cc_final: 0.8907 (tptt) REVERT: SO 13 ASP cc_start: 0.8799 (m-30) cc_final: 0.8363 (m-30) REVERT: SP 1 MET cc_start: 0.7449 (mtm) cc_final: 0.7209 (mtm) REVERT: SP 11 PHE cc_start: 0.9061 (OUTLIER) cc_final: 0.8657 (m-10) REVERT: SQ 13 ASP cc_start: 0.8386 (OUTLIER) cc_final: 0.8151 (p0) REVERT: SS 2 GLU cc_start: 0.8764 (tp30) cc_final: 0.8516 (tp30) REVERT: ST 6 LYS cc_start: 0.9190 (ptpt) cc_final: 0.8958 (ptpp) REVERT: ST 13 ASP cc_start: 0.8774 (t0) cc_final: 0.8433 (t0) REVERT: SV 12 LYS cc_start: 0.9301 (ttpt) cc_final: 0.8905 (tppt) REVERT: SW 9 LYS cc_start: 0.9173 (tptm) cc_final: 0.8887 (tptm) REVERT: SW 13 ASP cc_start: 0.8778 (m-30) cc_final: 0.8428 (m-30) REVERT: SX 6 LYS cc_start: 0.9191 (ptmt) cc_final: 0.8951 (ptpp) REVERT: S0 9 LYS cc_start: 0.9033 (tptt) cc_final: 0.8713 (tptm) REVERT: S0 13 ASP cc_start: 0.8637 (m-30) cc_final: 0.7874 (m-30) REVERT: S1 6 LYS cc_start: 0.9278 (ptpt) cc_final: 0.8887 (ptmt) REVERT: S4 9 LYS cc_start: 0.9239 (tptm) cc_final: 0.9030 (tptt) REVERT: S4 13 ASP cc_start: 0.8517 (m-30) cc_final: 0.8270 (m-30) REVERT: S4 17 LYS cc_start: 0.9181 (mtpt) cc_final: 0.8817 (mtpp) REVERT: S5 6 LYS cc_start: 0.9318 (ptmt) cc_final: 0.9001 (ptpt) REVERT: S7 11 PHE cc_start: 0.9064 (m-10) cc_final: 0.8850 (m-80) REVERT: S7 13 ASP cc_start: 0.8942 (t0) cc_final: 0.8308 (t0) REVERT: S9 6 LYS cc_start: 0.9195 (OUTLIER) cc_final: 0.8986 (ptpp) REVERT: S9 13 ASP cc_start: 0.8787 (t0) cc_final: 0.8503 (t0) REVERT: TA 2 GLU cc_start: 0.7327 (tm-30) cc_final: 0.7074 (tm-30) REVERT: TA 9 LYS cc_start: 0.9348 (tppt) cc_final: 0.9124 (tppt) REVERT: TA 13 ASP cc_start: 0.8968 (t70) cc_final: 0.8747 (p0) REVERT: TB 9 LYS cc_start: 0.9263 (tppt) cc_final: 0.9061 (ttmm) REVERT: TB 12 LYS cc_start: 0.9187 (ttpt) cc_final: 0.8643 (tptp) REVERT: TC 13 ASP cc_start: 0.8684 (m-30) cc_final: 0.8378 (m-30) REVERT: TF 9 LYS cc_start: 0.9249 (tppt) cc_final: 0.9014 (ttmm) REVERT: TF 12 LYS cc_start: 0.9222 (tttm) cc_final: 0.8821 (tppt) REVERT: TG 9 LYS cc_start: 0.9290 (tptt) cc_final: 0.9049 (tptm) REVERT: TJ 9 LYS cc_start: 0.9227 (tppt) cc_final: 0.8981 (ttmm) REVERT: TJ 12 LYS cc_start: 0.9033 (tttm) cc_final: 0.8760 (tppt) REVERT: TK 2 GLU cc_start: 0.8703 (tp30) cc_final: 0.8462 (tp30) REVERT: TK 12 LYS cc_start: 0.9101 (ttmt) cc_final: 0.8795 (mptt) REVERT: TK 13 ASP cc_start: 0.8675 (m-30) cc_final: 0.8069 (m-30) REVERT: TL 6 LYS cc_start: 0.9306 (ptmt) cc_final: 0.8928 (ptpp) REVERT: TM 1 MET cc_start: 0.7180 (tmm) cc_final: 0.6620 (tmm) REVERT: TM 2 GLU cc_start: 0.8249 (tm-30) cc_final: 0.7908 (tm-30) REVERT: TN 12 LYS cc_start: 0.9021 (tttm) cc_final: 0.8811 (tptt) REVERT: TO 12 LYS cc_start: 0.9147 (ttmt) cc_final: 0.8909 (mptt) REVERT: TO 13 ASP cc_start: 0.8704 (m-30) cc_final: 0.8009 (m-30) REVERT: TO 15 LEU cc_start: 0.8307 (OUTLIER) cc_final: 0.8053 (tp) REVERT: TO 17 LYS cc_start: 0.9168 (mtpp) cc_final: 0.8890 (mtpp) REVERT: TP 6 LYS cc_start: 0.9205 (ptpt) cc_final: 0.8871 (pttt) REVERT: TP 13 ASP cc_start: 0.8701 (t0) cc_final: 0.8410 (t0) REVERT: TQ 1 MET cc_start: 0.6624 (tmm) cc_final: 0.6252 (tmm) REVERT: TR 12 LYS cc_start: 0.9104 (tttm) cc_final: 0.8755 (tppt) REVERT: TS 6 LYS cc_start: 0.9304 (mmtm) cc_final: 0.9077 (mmtp) REVERT: TS 9 LYS cc_start: 0.9260 (tptt) cc_final: 0.8846 (tptm) REVERT: TS 13 ASP cc_start: 0.8526 (m-30) cc_final: 0.7611 (m-30) REVERT: TT 1 MET cc_start: 0.7017 (mtm) cc_final: 0.6777 (mtm) REVERT: TT 12 LYS cc_start: 0.9456 (tmmt) cc_final: 0.9193 (tmmt) REVERT: TV 9 LYS cc_start: 0.9273 (tppt) cc_final: 0.9033 (ttmm) REVERT: TV 12 LYS cc_start: 0.9065 (tttm) cc_final: 0.8688 (tppt) REVERT: TW 9 LYS cc_start: 0.9190 (tptt) cc_final: 0.8906 (tptm) REVERT: TW 12 LYS cc_start: 0.9113 (ttmt) cc_final: 0.8830 (mptt) REVERT: TW 13 ASP cc_start: 0.8637 (m-30) cc_final: 0.8089 (m-30) REVERT: TX 1 MET cc_start: 0.7018 (mtm) cc_final: 0.6692 (mtm) REVERT: TX 6 LYS cc_start: 0.9330 (ptmt) cc_final: 0.9111 (ptpp) REVERT: TX 9 LYS cc_start: 0.9204 (OUTLIER) cc_final: 0.8934 (ttmt) REVERT: TY 2 GLU cc_start: 0.8338 (tp30) cc_final: 0.7950 (tp30) REVERT: TZ 12 LYS cc_start: 0.9086 (tttm) cc_final: 0.8752 (tppt) REVERT: T0 12 LYS cc_start: 0.9117 (ttmt) cc_final: 0.8816 (mptt) REVERT: T1 6 LYS cc_start: 0.9294 (ptpt) cc_final: 0.9008 (pttt) REVERT: T3 12 LYS cc_start: 0.9139 (tttm) cc_final: 0.8824 (tppt) REVERT: T4 9 LYS cc_start: 0.9338 (tptt) cc_final: 0.8991 (tptp) REVERT: T4 13 ASP cc_start: 0.8528 (m-30) cc_final: 0.7681 (m-30) REVERT: T5 12 LYS cc_start: 0.9435 (tmmt) cc_final: 0.9156 (tmmt) REVERT: T5 21 ASN cc_start: 0.7068 (p0) cc_final: 0.6679 (p0) REVERT: T7 12 LYS cc_start: 0.9128 (tttm) cc_final: 0.8860 (tppt) REVERT: T8 2 GLU cc_start: 0.8655 (tp30) cc_final: 0.8259 (tp30) REVERT: T8 9 LYS cc_start: 0.9196 (tptt) cc_final: 0.8725 (tptm) REVERT: T8 12 LYS cc_start: 0.9152 (ttmt) cc_final: 0.8900 (mptt) REVERT: T8 13 ASP cc_start: 0.8505 (m-30) cc_final: 0.7664 (m-30) REVERT: T9 6 LYS cc_start: 0.9236 (ptmt) cc_final: 0.8948 (ptpp) REVERT: UB 12 LYS cc_start: 0.9069 (tttm) cc_final: 0.8838 (tppt) REVERT: UB 13 ASP cc_start: 0.9035 (t0) cc_final: 0.8438 (t0) REVERT: UC 2 GLU cc_start: 0.8840 (tp30) cc_final: 0.8497 (tp30) REVERT: UC 12 LYS cc_start: 0.9084 (ttmt) cc_final: 0.8658 (mptt) REVERT: UD 21 ASN cc_start: 0.7136 (p0) cc_final: 0.6775 (p0) REVERT: UF 12 LYS cc_start: 0.9296 (tttm) cc_final: 0.8880 (tppt) REVERT: UG 2 GLU cc_start: 0.8901 (tp30) cc_final: 0.8684 (tp30) REVERT: UG 12 LYS cc_start: 0.9106 (ttmt) cc_final: 0.8795 (mptt) REVERT: UG 13 ASP cc_start: 0.8614 (m-30) cc_final: 0.7801 (m-30) REVERT: UH 6 LYS cc_start: 0.9271 (ptmt) cc_final: 0.8924 (ptpp) REVERT: UI 1 MET cc_start: 0.6588 (tmm) cc_final: 0.6241 (tmm) REVERT: UJ 9 LYS cc_start: 0.9172 (tppt) cc_final: 0.8920 (ttmm) REVERT: UJ 12 LYS cc_start: 0.9057 (tttm) cc_final: 0.8549 (tppt) REVERT: UK 9 LYS cc_start: 0.9242 (tptt) cc_final: 0.8728 (tptt) REVERT: UK 13 ASP cc_start: 0.8661 (m-30) cc_final: 0.7502 (m-30) REVERT: UL 13 ASP cc_start: 0.8820 (t0) cc_final: 0.8616 (t0) REVERT: UL 21 ASN cc_start: 0.7762 (p0) cc_final: 0.7452 (p0) REVERT: UN 12 LYS cc_start: 0.9296 (tttm) cc_final: 0.8909 (tppt) REVERT: UO 2 GLU cc_start: 0.8791 (tp30) cc_final: 0.8247 (tp30) REVERT: UO 9 LYS cc_start: 0.9236 (tptm) cc_final: 0.8863 (tptp) REVERT: UO 13 ASP cc_start: 0.8661 (m-30) cc_final: 0.8287 (m-30) REVERT: UP 12 LYS cc_start: 0.9398 (tmmt) cc_final: 0.9011 (tmmt) REVERT: US 9 LYS cc_start: 0.9116 (tptt) cc_final: 0.8735 (tptm) REVERT: US 13 ASP cc_start: 0.8560 (m-30) cc_final: 0.7870 (m-30) REVERT: UT 6 LYS cc_start: 0.9216 (ptmt) cc_final: 0.9008 (ptpp) REVERT: UU 1 MET cc_start: 0.6270 (tmm) cc_final: 0.6022 (tmm) REVERT: UV 13 ASP cc_start: 0.8867 (t0) cc_final: 0.8476 (t0) outliers start: 735 outliers final: 293 residues processed: 6235 average time/residue: 1.3209 time to fit residues: 14182.8998 Evaluate side-chains 5544 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 324 poor density : 5220 time to evaluate : 14.375 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 15 LEU Chi-restraints excluded: chain B residue 11 PHE Chi-restraints excluded: chain C residue 2 GLU Chi-restraints excluded: chain C residue 4 VAL Chi-restraints excluded: chain G residue 4 VAL Chi-restraints excluded: chain J residue 11 PHE Chi-restraints excluded: chain O residue 4 VAL Chi-restraints excluded: chain R residue 12 LYS Chi-restraints excluded: chain S residue 2 GLU Chi-restraints excluded: chain S residue 4 VAL Chi-restraints excluded: chain W residue 4 VAL Chi-restraints excluded: chain Z residue 22 ASN Chi-restraints excluded: chain 0 residue 4 VAL Chi-restraints excluded: chain 0 residue 19 LEU Chi-restraints excluded: chain 4 residue 2 GLU Chi-restraints excluded: chain 7 residue 22 ASN Chi-restraints excluded: chain 8 residue 4 VAL Chi-restraints excluded: chain b residue 11 PHE Chi-restraints excluded: chain d residue 15 LEU Chi-restraints excluded: chain e residue 15 LEU Chi-restraints excluded: chain k residue 2 GLU Chi-restraints excluded: chain m residue 4 VAL Chi-restraints excluded: chain n residue 12 LYS Chi-restraints excluded: chain o residue 2 GLU Chi-restraints excluded: chain s residue 2 GLU Chi-restraints excluded: chain s residue 4 VAL Chi-restraints excluded: chain v residue 11 PHE Chi-restraints excluded: chain w residue 4 VAL Chi-restraints excluded: chain AA residue 1 MET Chi-restraints excluded: chain AA residue 4 VAL Chi-restraints excluded: chain AE residue 4 VAL Chi-restraints excluded: chain AI residue 4 VAL Chi-restraints excluded: chain AM residue 4 VAL Chi-restraints excluded: chain AP residue 11 PHE Chi-restraints excluded: chain AQ residue 4 VAL Chi-restraints excluded: chain AT residue 9 LYS Chi-restraints excluded: chain AX residue 21 ASN Chi-restraints excluded: chain AY residue 4 VAL Chi-restraints excluded: chain A0 residue 15 LEU Chi-restraints excluded: chain A2 residue 4 VAL Chi-restraints excluded: chain A6 residue 4 VAL Chi-restraints excluded: chain A8 residue 15 LEU Chi-restraints excluded: chain BA residue 4 VAL Chi-restraints excluded: chain BC residue 15 LEU Chi-restraints excluded: chain BE residue 4 VAL Chi-restraints excluded: chain BF residue 14 LEU Chi-restraints excluded: chain BG residue 14 LEU Chi-restraints excluded: chain BH residue 11 PHE Chi-restraints excluded: chain BI residue 4 VAL Chi-restraints excluded: chain BJ residue 14 LEU Chi-restraints excluded: chain BK residue 15 LEU Chi-restraints excluded: chain BL residue 22 ASN Chi-restraints excluded: chain BM residue 4 VAL Chi-restraints excluded: chain BN residue 12 LYS Chi-restraints excluded: chain BQ residue 4 VAL Chi-restraints excluded: chain BX residue 9 LYS Chi-restraints excluded: chain BY residue 4 VAL Chi-restraints excluded: chain B6 residue 1 MET Chi-restraints excluded: chain CA residue 4 VAL Chi-restraints excluded: chain CE residue 4 VAL Chi-restraints excluded: chain CH residue 3 PHE Chi-restraints excluded: chain CI residue 4 VAL Chi-restraints excluded: chain CL residue 11 PHE Chi-restraints excluded: chain CQ residue 4 VAL Chi-restraints excluded: chain CU residue 1 MET Chi-restraints excluded: chain C2 residue 4 VAL Chi-restraints excluded: chain C5 residue 11 PHE Chi-restraints excluded: chain DA residue 4 VAL Chi-restraints excluded: chain DA residue 14 LEU Chi-restraints excluded: chain DB residue 15 LEU Chi-restraints excluded: chain DD residue 11 PHE Chi-restraints excluded: chain DE residue 4 VAL Chi-restraints excluded: chain DF residue 14 LEU Chi-restraints excluded: chain DI residue 4 VAL Chi-restraints excluded: chain DK residue 15 LEU Chi-restraints excluded: chain DL residue 11 PHE Chi-restraints excluded: chain DM residue 4 VAL Chi-restraints excluded: chain DQ residue 4 VAL Chi-restraints excluded: chain DS residue 15 LEU Chi-restraints excluded: chain DT residue 3 PHE Chi-restraints excluded: chain DT residue 22 ASN Chi-restraints excluded: chain D6 residue 4 VAL Chi-restraints excluded: chain D7 residue 15 LEU Chi-restraints excluded: chain EE residue 4 VAL Chi-restraints excluded: chain EI residue 1 MET Chi-restraints excluded: chain EI residue 4 VAL Chi-restraints excluded: chain EL residue 11 PHE Chi-restraints excluded: chain EM residue 4 VAL Chi-restraints excluded: chain EN residue 19 LEU Chi-restraints excluded: chain EP residue 11 PHE Chi-restraints excluded: chain EQ residue 1 MET Chi-restraints excluded: chain EQ residue 4 VAL Chi-restraints excluded: chain EU residue 14 LEU Chi-restraints excluded: chain EX residue 22 ASN Chi-restraints excluded: chain EY residue 4 VAL Chi-restraints excluded: chain E1 residue 11 PHE Chi-restraints excluded: chain E2 residue 4 VAL Chi-restraints excluded: chain E6 residue 4 VAL Chi-restraints excluded: chain E9 residue 11 PHE Chi-restraints excluded: chain FA residue 4 VAL Chi-restraints excluded: chain FA residue 13 ASP Chi-restraints excluded: chain FD residue 11 PHE Chi-restraints excluded: chain FE residue 4 VAL Chi-restraints excluded: chain FH residue 11 PHE Chi-restraints excluded: chain FI residue 4 VAL Chi-restraints excluded: chain FK residue 15 LEU Chi-restraints excluded: chain FM residue 4 VAL Chi-restraints excluded: chain FP residue 3 PHE Chi-restraints excluded: chain FP residue 11 PHE Chi-restraints excluded: chain FQ residue 4 VAL Chi-restraints excluded: chain FU residue 4 VAL Chi-restraints excluded: chain FW residue 15 LEU Chi-restraints excluded: chain FY residue 4 VAL Chi-restraints excluded: chain F1 residue 11 PHE Chi-restraints excluded: chain GA residue 1 MET Chi-restraints excluded: chain GN residue 14 LEU Chi-restraints excluded: chain GQ residue 4 VAL Chi-restraints excluded: chain GU residue 4 VAL Chi-restraints excluded: chain GY residue 4 VAL Chi-restraints excluded: chain G2 residue 1 MET Chi-restraints excluded: chain G2 residue 4 VAL Chi-restraints excluded: chain G6 residue 4 VAL Chi-restraints excluded: chain HB residue 19 LEU Chi-restraints excluded: chain HE residue 1 MET Chi-restraints excluded: chain HE residue 4 VAL Chi-restraints excluded: chain HH residue 11 PHE Chi-restraints excluded: chain HI residue 4 VAL Chi-restraints excluded: chain HL residue 3 PHE Chi-restraints excluded: chain HM residue 4 VAL Chi-restraints excluded: chain HO residue 15 LEU Chi-restraints excluded: chain HQ residue 4 VAL Chi-restraints excluded: chain HU residue 4 VAL Chi-restraints excluded: chain HX residue 11 PHE Chi-restraints excluded: chain HY residue 4 VAL Chi-restraints excluded: chain H0 residue 15 LEU Chi-restraints excluded: chain H6 residue 4 VAL Chi-restraints excluded: chain H9 residue 11 PHE Chi-restraints excluded: chain IA residue 4 VAL Chi-restraints excluded: chain IB residue 12 LYS Chi-restraints excluded: chain IC residue 18 PHE Chi-restraints excluded: chain ID residue 12 LYS Chi-restraints excluded: chain ID residue 22 ASN Chi-restraints excluded: chain IF residue 14 LEU Chi-restraints excluded: chain II residue 4 VAL Chi-restraints excluded: chain IL residue 11 PHE Chi-restraints excluded: chain IL residue 22 ASN Chi-restraints excluded: chain IM residue 1 MET Chi-restraints excluded: chain IM residue 4 VAL Chi-restraints excluded: chain IO residue 15 LEU Chi-restraints excluded: chain IP residue 11 PHE Chi-restraints excluded: chain IQ residue 4 VAL Chi-restraints excluded: chain IU residue 4 VAL Chi-restraints excluded: chain I2 residue 4 VAL Chi-restraints excluded: chain I6 residue 4 VAL Chi-restraints excluded: chain I9 residue 22 ASN Chi-restraints excluded: chain JD residue 22 ASN Chi-restraints excluded: chain JE residue 4 VAL Chi-restraints excluded: chain JG residue 15 LEU Chi-restraints excluded: chain JH residue 22 ASN Chi-restraints excluded: chain JI residue 4 VAL Chi-restraints excluded: chain JL residue 11 PHE Chi-restraints excluded: chain JP residue 11 PHE Chi-restraints excluded: chain JP residue 22 ASN Chi-restraints excluded: chain JQ residue 4 VAL Chi-restraints excluded: chain JT residue 11 PHE Chi-restraints excluded: chain JU residue 4 VAL Chi-restraints excluded: chain JV residue 12 LYS Chi-restraints excluded: chain JY residue 4 VAL Chi-restraints excluded: chain J1 residue 11 PHE Chi-restraints excluded: chain J2 residue 4 VAL Chi-restraints excluded: chain J6 residue 4 VAL Chi-restraints excluded: chain KA residue 4 VAL Chi-restraints excluded: chain KC residue 15 LEU Chi-restraints excluded: chain KE residue 4 VAL Chi-restraints excluded: chain KH residue 22 ASN Chi-restraints excluded: chain KI residue 1 MET Chi-restraints excluded: chain KM residue 4 VAL Chi-restraints excluded: chain KQ residue 4 VAL Chi-restraints excluded: chain KU residue 4 VAL Chi-restraints excluded: chain K0 residue 15 LEU Chi-restraints excluded: chain K6 residue 4 VAL Chi-restraints excluded: chain K9 residue 11 PHE Chi-restraints excluded: chain K9 residue 21 ASN Chi-restraints excluded: chain K9 residue 22 ASN Chi-restraints excluded: chain LA residue 4 VAL Chi-restraints excluded: chain LD residue 14 LEU Chi-restraints excluded: chain LE residue 4 VAL Chi-restraints excluded: chain LI residue 1 MET Chi-restraints excluded: chain LI residue 4 VAL Chi-restraints excluded: chain LL residue 11 PHE Chi-restraints excluded: chain LM residue 4 VAL Chi-restraints excluded: chain LQ residue 4 VAL Chi-restraints excluded: chain LU residue 4 VAL Chi-restraints excluded: chain L0 residue 15 LEU Chi-restraints excluded: chain L2 residue 4 VAL Chi-restraints excluded: chain L5 residue 21 ASN Chi-restraints excluded: chain L6 residue 4 VAL Chi-restraints excluded: chain L8 residue 15 LEU Chi-restraints excluded: chain MA residue 4 VAL Chi-restraints excluded: chain MD residue 11 PHE Chi-restraints excluded: chain MG residue 1 MET Chi-restraints excluded: chain MI residue 4 VAL Chi-restraints excluded: chain MK residue 18 PHE Chi-restraints excluded: chain ML residue 22 ASN Chi-restraints excluded: chain MQ residue 1 MET Chi-restraints excluded: chain MQ residue 4 VAL Chi-restraints excluded: chain MS residue 1 MET Chi-restraints excluded: chain MS residue 15 LEU Chi-restraints excluded: chain MU residue 4 VAL Chi-restraints excluded: chain MX residue 22 ASN Chi-restraints excluded: chain MY residue 4 VAL Chi-restraints excluded: chain M0 residue 15 LEU Chi-restraints excluded: chain M1 residue 13 ASP Chi-restraints excluded: chain M2 residue 4 VAL Chi-restraints excluded: chain M6 residue 4 VAL Chi-restraints excluded: chain M6 residue 14 LEU Chi-restraints excluded: chain NA residue 4 VAL Chi-restraints excluded: chain NI residue 4 VAL Chi-restraints excluded: chain NL residue 11 PHE Chi-restraints excluded: chain NM residue 2 GLU Chi-restraints excluded: chain NM residue 4 VAL Chi-restraints excluded: chain NP residue 22 ASN Chi-restraints excluded: chain NQ residue 4 VAL Chi-restraints excluded: chain NR residue 14 LEU Chi-restraints excluded: chain NU residue 4 VAL Chi-restraints excluded: chain NW residue 1 MET Chi-restraints excluded: chain NY residue 4 VAL Chi-restraints excluded: chain N2 residue 4 VAL Chi-restraints excluded: chain N3 residue 14 LEU Chi-restraints excluded: chain N3 residue 15 LEU Chi-restraints excluded: chain N5 residue 11 PHE Chi-restraints excluded: chain N6 residue 4 VAL Chi-restraints excluded: chain N9 residue 3 PHE Chi-restraints excluded: chain N9 residue 11 PHE Chi-restraints excluded: chain N9 residue 21 ASN Chi-restraints excluded: chain OA residue 4 VAL Chi-restraints excluded: chain OC residue 15 LEU Chi-restraints excluded: chain OG residue 15 LEU Chi-restraints excluded: chain OI residue 4 VAL Chi-restraints excluded: chain OK residue 1 MET Chi-restraints excluded: chain OL residue 11 PHE Chi-restraints excluded: chain OM residue 4 VAL Chi-restraints excluded: chain OQ residue 4 VAL Chi-restraints excluded: chain OR residue 19 LEU Chi-restraints excluded: chain OU residue 4 VAL Chi-restraints excluded: chain OW residue 15 LEU Chi-restraints excluded: chain OY residue 4 VAL Chi-restraints excluded: chain O1 residue 7 LEU Chi-restraints excluded: chain O1 residue 22 ASN Chi-restraints excluded: chain O2 residue 4 VAL Chi-restraints excluded: chain O4 residue 15 LEU Chi-restraints excluded: chain O8 residue 15 LEU Chi-restraints excluded: chain PA residue 4 VAL Chi-restraints excluded: chain PD residue 11 PHE Chi-restraints excluded: chain PD residue 22 ASN Chi-restraints excluded: chain PE residue 4 VAL Chi-restraints excluded: chain PI residue 4 VAL Chi-restraints excluded: chain PL residue 11 PHE Chi-restraints excluded: chain PM residue 4 VAL Chi-restraints excluded: chain PO residue 15 LEU Chi-restraints excluded: chain PQ residue 4 VAL Chi-restraints excluded: chain PS residue 4 VAL Chi-restraints excluded: chain PX residue 11 PHE Chi-restraints excluded: chain PY residue 4 VAL Chi-restraints excluded: chain PZ residue 14 LEU Chi-restraints excluded: chain P0 residue 15 LEU Chi-restraints excluded: chain P2 residue 4 VAL Chi-restraints excluded: chain P6 residue 4 VAL Chi-restraints excluded: chain P6 residue 13 ASP Chi-restraints excluded: chain QA residue 4 VAL Chi-restraints excluded: chain QQ residue 4 VAL Chi-restraints excluded: chain QR residue 15 LEU Chi-restraints excluded: chain QS residue 15 LEU Chi-restraints excluded: chain QU residue 4 VAL Chi-restraints excluded: chain QX residue 22 ASN Chi-restraints excluded: chain QY residue 4 VAL Chi-restraints excluded: chain QY residue 19 LEU Chi-restraints excluded: chain Q2 residue 4 VAL Chi-restraints excluded: chain Q3 residue 15 LEU Chi-restraints excluded: chain Q5 residue 22 ASN Chi-restraints excluded: chain Q9 residue 11 PHE Chi-restraints excluded: chain RA residue 4 VAL Chi-restraints excluded: chain RI residue 4 VAL Chi-restraints excluded: chain RQ residue 13 ASP Chi-restraints excluded: chain RW residue 1 MET Chi-restraints excluded: chain RY residue 4 VAL Chi-restraints excluded: chain R2 residue 4 VAL Chi-restraints excluded: chain R2 residue 14 LEU Chi-restraints excluded: chain R3 residue 14 LEU Chi-restraints excluded: chain R4 residue 15 LEU Chi-restraints excluded: chain R6 residue 4 VAL Chi-restraints excluded: chain SE residue 1 MET Chi-restraints excluded: chain SM residue 4 VAL Chi-restraints excluded: chain SP residue 11 PHE Chi-restraints excluded: chain SQ residue 4 VAL Chi-restraints excluded: chain SQ residue 13 ASP Chi-restraints excluded: chain SW residue 15 LEU Chi-restraints excluded: chain SX residue 13 ASP Chi-restraints excluded: chain SY residue 4 VAL Chi-restraints excluded: chain S2 residue 4 VAL Chi-restraints excluded: chain S8 residue 15 LEU Chi-restraints excluded: chain S9 residue 6 LYS Chi-restraints excluded: chain TA residue 4 VAL Chi-restraints excluded: chain TE residue 4 VAL Chi-restraints excluded: chain TM residue 4 VAL Chi-restraints excluded: chain TO residue 15 LEU Chi-restraints excluded: chain TT residue 22 ASN Chi-restraints excluded: chain TX residue 9 LYS Chi-restraints excluded: chain TX residue 11 PHE Chi-restraints excluded: chain TX residue 22 ASN Chi-restraints excluded: chain TY residue 4 VAL Chi-restraints excluded: chain T2 residue 4 VAL Chi-restraints excluded: chain T9 residue 22 ASN Chi-restraints excluded: chain UA residue 4 VAL Chi-restraints excluded: chain UE residue 4 VAL Chi-restraints excluded: chain UH residue 11 PHE Chi-restraints excluded: chain UI residue 4 VAL Chi-restraints excluded: chain UJ residue 15 LEU Chi-restraints excluded: chain UP residue 11 PHE Chi-restraints excluded: chain UP residue 22 ASN Chi-restraints excluded: chain UQ residue 4 VAL Chi-restraints excluded: chain US residue 15 LEU Chi-restraints excluded: chain UT residue 11 PHE Chi-restraints excluded: chain UU residue 4 VAL Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1608 random chunks: chunk 1445 optimal weight: 6.9990 chunk 1099 optimal weight: 6.9990 chunk 759 optimal weight: 2.9990 chunk 161 optimal weight: 10.0000 chunk 698 optimal weight: 0.7980 chunk 982 optimal weight: 0.9990 chunk 1468 optimal weight: 8.9990 chunk 1554 optimal weight: 6.9990 chunk 767 optimal weight: 9.9990 chunk 1391 optimal weight: 0.9990 chunk 418 optimal weight: 10.0000 overall best weight: 2.5588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 6 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 22 ASN ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BL 22 ASN ** BS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CL 22 ASN ** CO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CT 22 ASN CX 22 ASN ** C0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1 22 ASN ** EG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ES 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** GT 22 ASN GX 22 ASN HL 22 ASN ** H0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ID 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** JH 22 ASN ** JK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ML 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** NP 22 ASN ** NS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O1 22 ASN ** PG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** QL 22 ASN ** QS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q5 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q9 22 ASN ** RH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** UP 22 ASN Total number of N/Q/H flips: 15 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8523 moved from start: 0.3677 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.038 146328 Z= 0.171 Angle : 0.581 16.045 191955 Z= 0.277 Chirality : 0.032 0.148 19497 Planarity : 0.002 0.017 22914 Dihedral : 3.684 14.379 16281 Min Nonbonded Distance : 2.190 Molprobity Statistics. All-atom Clashscore : 10.06 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.49 % Favored : 97.51 % Rotamer: Outliers : 5.32 % Allowed : 27.57 % Favored : 67.10 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.68 (0.07), residues: 15477 helix: 0.91 (0.04), residues: 14272 sheet: None (None), residues: 0 loop : -4.59 (0.06), residues: 1205 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.035 0.001 PHEN7 11 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6518 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 781 poor density : 5737 time to evaluate : 15.881 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 6 LYS cc_start: 0.9046 (ttmm) cc_final: 0.8073 (tmtt) REVERT: A 9 LYS cc_start: 0.9292 (tptm) cc_final: 0.9065 (tptm) REVERT: A 13 ASP cc_start: 0.8789 (m-30) cc_final: 0.8409 (m-30) REVERT: A 17 LYS cc_start: 0.9268 (mtpp) cc_final: 0.8641 (pptt) REVERT: B 6 LYS cc_start: 0.9022 (ptmt) cc_final: 0.8668 (pttp) REVERT: C 2 GLU cc_start: 0.7818 (OUTLIER) cc_final: 0.7062 (tm-30) REVERT: D 1 MET cc_start: 0.7154 (ptt) cc_final: 0.4244 (mmt) REVERT: D 15 LEU cc_start: 0.9559 (tp) cc_final: 0.9316 (tp) REVERT: E 6 LYS cc_start: 0.9007 (ttmm) cc_final: 0.8047 (tmtt) REVERT: E 9 LYS cc_start: 0.9147 (tptt) cc_final: 0.8718 (tptp) REVERT: E 13 ASP cc_start: 0.8841 (m-30) cc_final: 0.7609 (m-30) REVERT: E 17 LYS cc_start: 0.9342 (mtpp) cc_final: 0.8693 (pttt) REVERT: F 6 LYS cc_start: 0.8981 (ptmt) cc_final: 0.8487 (pptt) REVERT: F 12 LYS cc_start: 0.9267 (tmmt) cc_final: 0.8912 (tmmt) REVERT: H 1 MET cc_start: 0.6962 (ptt) cc_final: 0.4456 (mmt) REVERT: H 12 LYS cc_start: 0.9325 (ttpt) cc_final: 0.8880 (tptp) REVERT: I 6 LYS cc_start: 0.8974 (ttmm) cc_final: 0.8212 (tmtt) REVERT: I 9 LYS cc_start: 0.9194 (tptt) cc_final: 0.8850 (tptp) REVERT: I 13 ASP cc_start: 0.8842 (m-30) cc_final: 0.8276 (m-30) REVERT: I 17 LYS cc_start: 0.9244 (mtpp) cc_final: 0.8728 (pttt) REVERT: J 1 MET cc_start: 0.7416 (mtm) cc_final: 0.7149 (mtm) REVERT: J 6 LYS cc_start: 0.8824 (ptmt) cc_final: 0.8329 (pttp) REVERT: J 13 ASP cc_start: 0.8771 (t0) cc_final: 0.8565 (t0) REVERT: J 17 LYS cc_start: 0.8842 (ttmm) cc_final: 0.7701 (tmtt) REVERT: K 17 LYS cc_start: 0.8976 (mttt) cc_final: 0.8081 (tttt) REVERT: L 1 MET cc_start: 0.7429 (ptt) cc_final: 0.4748 (mmm) REVERT: L 9 LYS cc_start: 0.9147 (tppt) cc_final: 0.8884 (ttmm) REVERT: M 1 MET cc_start: 0.7800 (pmm) cc_final: 0.7275 (pmm) REVERT: M 6 LYS cc_start: 0.9065 (ttmm) cc_final: 0.8099 (tmtt) REVERT: M 9 LYS cc_start: 0.9284 (tptm) cc_final: 0.8981 (tptt) REVERT: M 17 LYS cc_start: 0.9303 (mtpp) cc_final: 0.8842 (pptt) REVERT: N 6 LYS cc_start: 0.9016 (ptmt) cc_final: 0.8484 (pttp) REVERT: N 12 LYS cc_start: 0.9301 (tmmt) cc_final: 0.8992 (tmmt) REVERT: P 1 MET cc_start: 0.7250 (ptt) cc_final: 0.4646 (mmt) REVERT: Q 6 LYS cc_start: 0.8981 (ttmm) cc_final: 0.7975 (tmtt) REVERT: Q 9 LYS cc_start: 0.9217 (tptt) cc_final: 0.8958 (tptm) REVERT: Q 13 ASP cc_start: 0.8690 (m-30) cc_final: 0.7949 (m-30) REVERT: Q 17 LYS cc_start: 0.9208 (mtpp) cc_final: 0.8730 (pttt) REVERT: R 6 LYS cc_start: 0.9050 (ptmt) cc_final: 0.8638 (pttp) REVERT: R 17 LYS cc_start: 0.8962 (ttmm) cc_final: 0.7962 (tmtt) REVERT: T 1 MET cc_start: 0.7225 (ptt) cc_final: 0.4848 (mmt) REVERT: T 12 LYS cc_start: 0.9268 (tttm) cc_final: 0.8929 (tppt) REVERT: U 6 LYS cc_start: 0.8946 (ttmm) cc_final: 0.7993 (tmtt) REVERT: U 9 LYS cc_start: 0.9258 (tptm) cc_final: 0.8786 (tptt) REVERT: U 17 LYS cc_start: 0.9201 (mtpp) cc_final: 0.8797 (pttt) REVERT: V 6 LYS cc_start: 0.9108 (ptmt) cc_final: 0.8712 (pttp) REVERT: W 1 MET cc_start: 0.7349 (tmm) cc_final: 0.6921 (tmm) REVERT: W 17 LYS cc_start: 0.8897 (mttt) cc_final: 0.8167 (tmtt) REVERT: Y 6 LYS cc_start: 0.8985 (ttmm) cc_final: 0.8210 (tmtt) REVERT: Y 9 LYS cc_start: 0.9193 (tptt) cc_final: 0.8649 (tptp) REVERT: Y 13 ASP cc_start: 0.8806 (m-30) cc_final: 0.7562 (m-30) REVERT: Y 17 LYS cc_start: 0.9393 (mtpp) cc_final: 0.8783 (pttp) REVERT: Y 19 LEU cc_start: 0.8430 (OUTLIER) cc_final: 0.8010 (tt) REVERT: Z 1 MET cc_start: 0.7649 (mtm) cc_final: 0.7361 (mtm) REVERT: Z 6 LYS cc_start: 0.8828 (ptmt) cc_final: 0.8243 (pptt) REVERT: 0 17 LYS cc_start: 0.8899 (mttt) cc_final: 0.7922 (tmtt) REVERT: 1 12 LYS cc_start: 0.9261 (tttm) cc_final: 0.8900 (tppt) REVERT: 2 6 LYS cc_start: 0.9020 (ttmm) cc_final: 0.7979 (tmtt) REVERT: 2 9 LYS cc_start: 0.9101 (tptp) cc_final: 0.8895 (tptp) REVERT: 2 13 ASP cc_start: 0.8684 (m-30) cc_final: 0.8268 (m-30) REVERT: 2 17 LYS cc_start: 0.9220 (mtpp) cc_final: 0.8719 (pttt) REVERT: 3 6 LYS cc_start: 0.9012 (ptmt) cc_final: 0.8547 (pptt) REVERT: 5 1 MET cc_start: 0.6872 (ptt) cc_final: 0.4465 (mmt) REVERT: 5 11 PHE cc_start: 0.9190 (m-10) cc_final: 0.8918 (m-80) REVERT: 6 1 MET cc_start: 0.7746 (pmm) cc_final: 0.7249 (pmm) REVERT: 6 6 LYS cc_start: 0.8889 (ttmm) cc_final: 0.8140 (tmtt) REVERT: 6 9 LYS cc_start: 0.9305 (tptm) cc_final: 0.9061 (tptm) REVERT: 6 13 ASP cc_start: 0.8725 (m-30) cc_final: 0.8154 (m-30) REVERT: 6 17 LYS cc_start: 0.9285 (mtpp) cc_final: 0.8872 (pptt) REVERT: 7 6 LYS cc_start: 0.9003 (ptmt) cc_final: 0.8662 (pttp) REVERT: 8 17 LYS cc_start: 0.9053 (mttt) cc_final: 0.8212 (tmtt) REVERT: a 1 MET cc_start: 0.8218 (pmm) cc_final: 0.7945 (pmm) REVERT: a 6 LYS cc_start: 0.8941 (ttmm) cc_final: 0.8114 (tmtt) REVERT: a 9 LYS cc_start: 0.9256 (tptm) cc_final: 0.8744 (tptp) REVERT: a 13 ASP cc_start: 0.8657 (m-30) cc_final: 0.8145 (m-30) REVERT: a 17 LYS cc_start: 0.9259 (mtpp) cc_final: 0.8693 (pptt) REVERT: b 1 MET cc_start: 0.7155 (mtm) cc_final: 0.6708 (mtm) REVERT: b 6 LYS cc_start: 0.8757 (ptmt) cc_final: 0.8370 (ptmm) REVERT: c 17 LYS cc_start: 0.9116 (mttt) cc_final: 0.8136 (tmtt) REVERT: e 6 LYS cc_start: 0.8910 (ttmm) cc_final: 0.8065 (tmtt) REVERT: e 9 LYS cc_start: 0.9277 (tptm) cc_final: 0.9017 (tptt) REVERT: e 17 LYS cc_start: 0.9325 (mtpp) cc_final: 0.8848 (pttt) REVERT: f 6 LYS cc_start: 0.8825 (ptmt) cc_final: 0.8395 (pttp) REVERT: f 21 ASN cc_start: 0.7542 (p0) cc_final: 0.7324 (p0) REVERT: h 1 MET cc_start: 0.6526 (ptt) cc_final: 0.5268 (mmt) REVERT: h 12 LYS cc_start: 0.9235 (ttpt) cc_final: 0.8705 (tppt) REVERT: i 6 LYS cc_start: 0.8954 (ttmm) cc_final: 0.8202 (tmtt) REVERT: i 9 LYS cc_start: 0.9171 (tptm) cc_final: 0.8633 (tptt) REVERT: i 13 ASP cc_start: 0.8770 (m-30) cc_final: 0.8062 (m-30) REVERT: i 17 LYS cc_start: 0.9358 (mtpp) cc_final: 0.8741 (pptt) REVERT: j 6 LYS cc_start: 0.9010 (ptmt) cc_final: 0.8513 (pptt) REVERT: j 12 LYS cc_start: 0.9282 (tmmt) cc_final: 0.8993 (tmmt) REVERT: k 1 MET cc_start: 0.7773 (ttt) cc_final: 0.5745 (mpp) REVERT: k 2 GLU cc_start: 0.7745 (OUTLIER) cc_final: 0.7094 (tm-30) REVERT: k 17 LYS cc_start: 0.8984 (mttt) cc_final: 0.8137 (tmtt) REVERT: l 12 LYS cc_start: 0.9255 (ttpt) cc_final: 0.8792 (tppt) REVERT: m 6 LYS cc_start: 0.9007 (ttmm) cc_final: 0.8075 (tmtt) REVERT: m 9 LYS cc_start: 0.9305 (tptt) cc_final: 0.8980 (tptt) REVERT: m 17 LYS cc_start: 0.9277 (mtpp) cc_final: 0.8776 (pttp) REVERT: n 6 LYS cc_start: 0.8804 (ptmt) cc_final: 0.8372 (pptt) REVERT: n 17 LYS cc_start: 0.8957 (ttmm) cc_final: 0.8062 (tmtt) REVERT: q 9 LYS cc_start: 0.9136 (tptt) cc_final: 0.8694 (tptp) REVERT: q 13 ASP cc_start: 0.8774 (m-30) cc_final: 0.7500 (m-30) REVERT: r 6 LYS cc_start: 0.9204 (ptpt) cc_final: 0.8939 (ptpp) REVERT: r 12 LYS cc_start: 0.9371 (tmmt) cc_final: 0.9115 (tmmt) REVERT: t 1 MET cc_start: 0.7287 (ptt) cc_final: 0.7045 (ptm) REVERT: t 2 GLU cc_start: 0.8342 (pm20) cc_final: 0.8101 (pm20) REVERT: t 12 LYS cc_start: 0.9275 (ttpt) cc_final: 0.8625 (tptp) REVERT: u 2 GLU cc_start: 0.8950 (tp30) cc_final: 0.8555 (tp30) REVERT: u 6 LYS cc_start: 0.9348 (mmtt) cc_final: 0.8956 (mmtp) REVERT: v 1 MET cc_start: 0.7083 (mtm) cc_final: 0.6817 (mtm) REVERT: v 6 LYS cc_start: 0.9212 (ptmt) cc_final: 0.8878 (ptpp) REVERT: v 13 ASP cc_start: 0.8766 (t0) cc_final: 0.8474 (t70) REVERT: v 21 ASN cc_start: 0.7457 (p0) cc_final: 0.7174 (p0) REVERT: x 13 ASP cc_start: 0.9011 (t0) cc_final: 0.8754 (t70) REVERT: y 2 GLU cc_start: 0.8867 (tp30) cc_final: 0.8316 (tp30) REVERT: y 9 LYS cc_start: 0.9209 (tptm) cc_final: 0.8958 (tptm) REVERT: y 13 ASP cc_start: 0.8709 (m-30) cc_final: 0.8442 (m-30) REVERT: z 6 LYS cc_start: 0.9360 (ptmt) cc_final: 0.9048 (ptpp) REVERT: z 12 LYS cc_start: 0.9311 (tmmt) cc_final: 0.8985 (tmmt) REVERT: z 15 LEU cc_start: 0.8916 (OUTLIER) cc_final: 0.8678 (tt) REVERT: AC 13 ASP cc_start: 0.8757 (m-30) cc_final: 0.8541 (m-30) REVERT: AH 6 LYS cc_start: 0.9333 (ptmt) cc_final: 0.8917 (ptmt) REVERT: AJ 13 ASP cc_start: 0.8960 (t0) cc_final: 0.8489 (t0) REVERT: AK 1 MET cc_start: 0.7519 (pmm) cc_final: 0.6179 (pmm) REVERT: AK 2 GLU cc_start: 0.8962 (tp30) cc_final: 0.8608 (tp30) REVERT: AK 6 LYS cc_start: 0.9334 (mmtt) cc_final: 0.9105 (mmtt) REVERT: AK 13 ASP cc_start: 0.8590 (m-30) cc_final: 0.8117 (m-30) REVERT: AN 1 MET cc_start: 0.8052 (ptm) cc_final: 0.7607 (ptm) REVERT: AO 1 MET cc_start: 0.7671 (pmm) cc_final: 0.7450 (pmm) REVERT: AO 9 LYS cc_start: 0.9296 (tptm) cc_final: 0.9046 (tppt) REVERT: AO 13 ASP cc_start: 0.8913 (m-30) cc_final: 0.8655 (m-30) REVERT: AO 17 LYS cc_start: 0.9114 (mtpt) cc_final: 0.8603 (mtpt) REVERT: AO 19 LEU cc_start: 0.8102 (OUTLIER) cc_final: 0.7859 (tt) REVERT: AP 1 MET cc_start: 0.7571 (mtm) cc_final: 0.7325 (mtp) REVERT: AP 6 LYS cc_start: 0.9309 (ptpt) cc_final: 0.8983 (ptpp) REVERT: AR 13 ASP cc_start: 0.8982 (t0) cc_final: 0.8500 (t70) REVERT: AS 2 GLU cc_start: 0.8902 (tp30) cc_final: 0.8700 (tp30) REVERT: AS 6 LYS cc_start: 0.9321 (mmmt) cc_final: 0.8970 (mmmt) REVERT: AS 9 LYS cc_start: 0.9161 (tptt) cc_final: 0.8687 (tptm) REVERT: AS 13 ASP cc_start: 0.8607 (m-30) cc_final: 0.7838 (m-30) REVERT: AT 6 LYS cc_start: 0.9290 (ptmt) cc_final: 0.9006 (ptpp) REVERT: AW 2 GLU cc_start: 0.8815 (tp30) cc_final: 0.8203 (tp30) REVERT: AW 6 LYS cc_start: 0.9312 (mttm) cc_final: 0.8904 (mttm) REVERT: AW 9 LYS cc_start: 0.9245 (tptm) cc_final: 0.8497 (tptt) REVERT: AW 13 ASP cc_start: 0.8648 (m-30) cc_final: 0.7824 (m-30) REVERT: AX 6 LYS cc_start: 0.9280 (ptmt) cc_final: 0.9063 (ptpp) REVERT: AX 12 LYS cc_start: 0.9259 (tmmt) cc_final: 0.9023 (tmmt) REVERT: AX 21 ASN cc_start: 0.7229 (OUTLIER) cc_final: 0.6823 (p0) REVERT: AY 1 MET cc_start: 0.6668 (tmm) cc_final: 0.6424 (tmm) REVERT: A0 9 LYS cc_start: 0.9186 (tptt) cc_final: 0.8610 (tptm) REVERT: A0 13 ASP cc_start: 0.8615 (m-30) cc_final: 0.7661 (m-30) REVERT: A0 15 LEU cc_start: 0.8267 (OUTLIER) cc_final: 0.7990 (tp) REVERT: A1 21 ASN cc_start: 0.7579 (p0) cc_final: 0.7225 (p0) REVERT: A3 1 MET cc_start: 0.6631 (ptt) cc_final: 0.6324 (ptt) REVERT: A4 9 LYS cc_start: 0.9127 (tptt) cc_final: 0.8577 (tptp) REVERT: A4 13 ASP cc_start: 0.8665 (m-30) cc_final: 0.7799 (m-30) REVERT: A5 6 LYS cc_start: 0.9155 (ptmt) cc_final: 0.8890 (ptpp) REVERT: A5 13 ASP cc_start: 0.8799 (t0) cc_final: 0.8598 (t0) REVERT: A6 6 LYS cc_start: 0.9191 (ttmm) cc_final: 0.8973 (mttm) REVERT: A7 13 ASP cc_start: 0.8919 (t0) cc_final: 0.8585 (t0) REVERT: A8 9 LYS cc_start: 0.9158 (tptt) cc_final: 0.8558 (tptm) REVERT: A8 13 ASP cc_start: 0.8778 (m-30) cc_final: 0.7750 (m-30) REVERT: A9 6 LYS cc_start: 0.9369 (ptmt) cc_final: 0.9063 (ptpp) REVERT: BB 13 ASP cc_start: 0.8996 (t0) cc_final: 0.8381 (t0) REVERT: BC 9 LYS cc_start: 0.9282 (tptt) cc_final: 0.8828 (tptm) REVERT: BC 13 ASP cc_start: 0.8675 (m-30) cc_final: 0.7843 (m-30) REVERT: BD 11 PHE cc_start: 0.8980 (OUTLIER) cc_final: 0.8770 (m-10) REVERT: BD 12 LYS cc_start: 0.9277 (ttpt) cc_final: 0.8905 (tmmt) REVERT: BG 13 ASP cc_start: 0.8607 (m-30) cc_final: 0.8231 (m-30) REVERT: BI 9 LYS cc_start: 0.9333 (tppt) cc_final: 0.8957 (tppt) REVERT: BJ 12 LYS cc_start: 0.9253 (ttpt) cc_final: 0.8867 (tppt) REVERT: BK 2 GLU cc_start: 0.8783 (tp30) cc_final: 0.8427 (tp30) REVERT: BK 9 LYS cc_start: 0.9142 (tptt) cc_final: 0.8688 (tptm) REVERT: BK 13 ASP cc_start: 0.8562 (m-30) cc_final: 0.7669 (m-30) REVERT: BL 13 ASP cc_start: 0.8721 (t0) cc_final: 0.8502 (t0) REVERT: BN 12 LYS cc_start: 0.9126 (OUTLIER) cc_final: 0.8567 (tptp) REVERT: BO 9 LYS cc_start: 0.9324 (tptm) cc_final: 0.8926 (tptt) REVERT: BO 13 ASP cc_start: 0.8834 (m-30) cc_final: 0.8417 (m-30) REVERT: BP 13 ASP cc_start: 0.8574 (t70) cc_final: 0.8358 (t0) REVERT: BR 12 LYS cc_start: 0.9211 (ttpt) cc_final: 0.8861 (tppt) REVERT: BS 9 LYS cc_start: 0.9183 (tppp) cc_final: 0.8642 (tptt) REVERT: BS 13 ASP cc_start: 0.8534 (m-30) cc_final: 0.7150 (m-30) REVERT: BT 6 LYS cc_start: 0.9336 (ptmt) cc_final: 0.8989 (ptpp) REVERT: BW 2 GLU cc_start: 0.8717 (tp30) cc_final: 0.8504 (tp30) REVERT: BW 9 LYS cc_start: 0.9157 (tptt) cc_final: 0.8760 (tptt) REVERT: BX 6 LYS cc_start: 0.9315 (ptpt) cc_final: 0.9060 (ptpp) REVERT: BX 9 LYS cc_start: 0.9337 (OUTLIER) cc_final: 0.9046 (ttpt) REVERT: BX 12 LYS cc_start: 0.9332 (tmmt) cc_final: 0.9051 (tmmt) REVERT: BY 1 MET cc_start: 0.7026 (tmm) cc_final: 0.6648 (tmm) REVERT: B0 1 MET cc_start: 0.7168 (OUTLIER) cc_final: 0.6623 (ptp) REVERT: B0 2 GLU cc_start: 0.8916 (tp30) cc_final: 0.8460 (tp30) REVERT: B0 6 LYS cc_start: 0.9252 (mttm) cc_final: 0.8944 (mttm) REVERT: B0 9 LYS cc_start: 0.9265 (tptt) cc_final: 0.8734 (tptp) REVERT: B0 13 ASP cc_start: 0.8730 (m-30) cc_final: 0.7976 (m-30) REVERT: B0 17 LYS cc_start: 0.9038 (mtpp) cc_final: 0.8769 (mtpt) REVERT: B1 21 ASN cc_start: 0.7472 (p0) cc_final: 0.7177 (p0) REVERT: B4 1 MET cc_start: 0.7700 (pmm) cc_final: 0.7196 (ptp) REVERT: B4 2 GLU cc_start: 0.8654 (tp30) cc_final: 0.7785 (tp30) REVERT: B4 6 LYS cc_start: 0.8902 (ttmm) cc_final: 0.8688 (mmtm) REVERT: B4 13 ASP cc_start: 0.8693 (m-30) cc_final: 0.8375 (m-30) REVERT: B5 6 LYS cc_start: 0.9276 (ptmt) cc_final: 0.8919 (ptmt) REVERT: B5 12 LYS cc_start: 0.9400 (tmmt) cc_final: 0.9044 (tmmt) REVERT: B7 9 LYS cc_start: 0.9324 (tppt) cc_final: 0.9085 (ttmm) REVERT: CC 6 LYS cc_start: 0.9327 (mmtm) cc_final: 0.9048 (mmtm) REVERT: CC 9 LYS cc_start: 0.9241 (tptm) cc_final: 0.8909 (tptm) REVERT: CC 13 ASP cc_start: 0.8550 (m-30) cc_final: 0.8043 (m-30) REVERT: CC 19 LEU cc_start: 0.8039 (OUTLIER) cc_final: 0.7711 (tt) REVERT: CD 6 LYS cc_start: 0.9231 (ptmt) cc_final: 0.8996 (ptpp) REVERT: CD 13 ASP cc_start: 0.8795 (t0) cc_final: 0.8544 (t70) REVERT: CG 2 GLU cc_start: 0.8826 (tp30) cc_final: 0.8242 (tp30) REVERT: CG 6 LYS cc_start: 0.9365 (mmtt) cc_final: 0.8987 (mmtt) REVERT: CG 9 LYS cc_start: 0.9121 (tptt) cc_final: 0.8699 (tptm) REVERT: CG 13 ASP cc_start: 0.8725 (m-30) cc_final: 0.8087 (m-30) REVERT: CH 1 MET cc_start: 0.7049 (mtm) cc_final: 0.6707 (mtm) REVERT: CH 6 LYS cc_start: 0.9329 (ptpt) cc_final: 0.9128 (ptpp) REVERT: CH 12 LYS cc_start: 0.9332 (tmmt) cc_final: 0.8997 (tmmt) REVERT: CK 9 LYS cc_start: 0.9263 (tptm) cc_final: 0.8935 (tptm) REVERT: CK 13 ASP cc_start: 0.8698 (m-30) cc_final: 0.8453 (m-30) REVERT: CL 1 MET cc_start: 0.7214 (mtm) cc_final: 0.6926 (mtm) REVERT: CL 12 LYS cc_start: 0.9305 (tmmt) cc_final: 0.8961 (tmmt) REVERT: CO 9 LYS cc_start: 0.9238 (tptt) cc_final: 0.8962 (tptp) REVERT: CO 13 ASP cc_start: 0.8721 (m-30) cc_final: 0.8003 (m-30) REVERT: CP 6 LYS cc_start: 0.9177 (ptpt) cc_final: 0.8872 (ptpp) REVERT: CR 1 MET cc_start: 0.7613 (ptm) cc_final: 0.7278 (ptt) REVERT: CR 12 LYS cc_start: 0.9226 (tttt) cc_final: 0.8882 (tppt) REVERT: CS 1 MET cc_start: 0.8160 (pmm) cc_final: 0.7772 (pmm) REVERT: CS 2 GLU cc_start: 0.8825 (tp30) cc_final: 0.7974 (tp30) REVERT: CS 6 LYS cc_start: 0.9378 (mmtm) cc_final: 0.8861 (mmtt) REVERT: CT 21 ASN cc_start: 0.7442 (p0) cc_final: 0.7143 (p0) REVERT: CV 2 GLU cc_start: 0.8322 (pm20) cc_final: 0.8114 (pm20) REVERT: CX 6 LYS cc_start: 0.9296 (ptmt) cc_final: 0.8963 (ptpp) REVERT: CX 12 LYS cc_start: 0.9261 (tmmt) cc_final: 0.9034 (tmmt) REVERT: CX 21 ASN cc_start: 0.6713 (p0) cc_final: 0.6481 (p0) REVERT: CZ 12 LYS cc_start: 0.9320 (ttpt) cc_final: 0.8926 (tppt) REVERT: C0 2 GLU cc_start: 0.8876 (tp30) cc_final: 0.8069 (tp30) REVERT: C0 6 LYS cc_start: 0.9289 (mttm) cc_final: 0.8758 (mttm) REVERT: C0 9 LYS cc_start: 0.9216 (tptt) cc_final: 0.8541 (tptp) REVERT: C0 13 ASP cc_start: 0.8729 (m-30) cc_final: 0.7280 (m-30) REVERT: C3 9 LYS cc_start: 0.9157 (ttmm) cc_final: 0.8952 (tppt) REVERT: C4 17 LYS cc_start: 0.9175 (mtpt) cc_final: 0.8835 (mtpp) REVERT: C5 6 LYS cc_start: 0.9277 (ptpt) cc_final: 0.8804 (ptpp) REVERT: C7 9 LYS cc_start: 0.9267 (tppt) cc_final: 0.9038 (ttmm) REVERT: C7 13 ASP cc_start: 0.8873 (t0) cc_final: 0.8404 (t0) REVERT: C8 13 ASP cc_start: 0.8796 (m-30) cc_final: 0.8483 (m-30) REVERT: C9 12 LYS cc_start: 0.9261 (tmmt) cc_final: 0.8981 (tmmt) REVERT: DA 1 MET cc_start: 0.7589 (tmm) cc_final: 0.7019 (tmm) REVERT: DB 1 MET cc_start: 0.7689 (ptt) cc_final: 0.7262 (ptp) REVERT: DB 2 GLU cc_start: 0.8322 (pm20) cc_final: 0.8115 (pm20) REVERT: DC 9 LYS cc_start: 0.9185 (tptt) cc_final: 0.8795 (tptp) REVERT: DC 13 ASP cc_start: 0.8791 (m-30) cc_final: 0.8177 (m-30) REVERT: DD 6 LYS cc_start: 0.9313 (ptmt) cc_final: 0.9024 (ptpp) REVERT: DD 13 ASP cc_start: 0.8757 (t0) cc_final: 0.8503 (t0) REVERT: DE 1 MET cc_start: 0.7342 (tmm) cc_final: 0.6962 (tmm) REVERT: DE 9 LYS cc_start: 0.9363 (tppt) cc_final: 0.8751 (tppt) REVERT: DF 15 LEU cc_start: 0.9633 (tp) cc_final: 0.9253 (tp) REVERT: DG 9 LYS cc_start: 0.9222 (tptt) cc_final: 0.8906 (tptt) REVERT: DI 10 PHE cc_start: 0.9197 (t80) cc_final: 0.8894 (t80) REVERT: DJ 9 LYS cc_start: 0.9349 (tppt) cc_final: 0.9099 (ttmm) REVERT: DJ 12 LYS cc_start: 0.9181 (ttpp) cc_final: 0.8429 (tptp) REVERT: DK 2 GLU cc_start: 0.8681 (tp30) cc_final: 0.8359 (tp30) REVERT: DL 1 MET cc_start: 0.7191 (mtm) cc_final: 0.6664 (mtm) REVERT: DN 1 MET cc_start: 0.7208 (ptt) cc_final: 0.6702 (ptm) REVERT: DO 9 LYS cc_start: 0.9233 (tptm) cc_final: 0.8860 (tptt) REVERT: DP 6 LYS cc_start: 0.9358 (ptmt) cc_final: 0.9100 (ptpp) REVERT: DQ 1 MET cc_start: 0.7194 (ttp) cc_final: 0.6406 (tmm) REVERT: DR 1 MET cc_start: 0.6848 (ptt) cc_final: 0.6626 (ptm) REVERT: DR 12 LYS cc_start: 0.9283 (ttpt) cc_final: 0.8770 (tptp) REVERT: DS 2 GLU cc_start: 0.8763 (tp30) cc_final: 0.8071 (tp30) REVERT: DS 6 LYS cc_start: 0.9168 (mttm) cc_final: 0.8808 (mmtp) REVERT: DS 9 LYS cc_start: 0.9128 (tptt) cc_final: 0.8546 (tptp) REVERT: DS 13 ASP cc_start: 0.8615 (m-30) cc_final: 0.7429 (m-30) REVERT: DT 6 LYS cc_start: 0.9243 (ptmt) cc_final: 0.8762 (ptmt) REVERT: DV 2 GLU cc_start: 0.8271 (pm20) cc_final: 0.7948 (pm20) REVERT: DW 9 LYS cc_start: 0.9091 (tptm) cc_final: 0.8577 (tptp) REVERT: DX 1 MET cc_start: 0.7277 (mtm) cc_final: 0.7050 (mtm) REVERT: DX 6 LYS cc_start: 0.9260 (ptpt) cc_final: 0.8910 (ptpp) REVERT: DX 13 ASP cc_start: 0.8751 (t0) cc_final: 0.8363 (t0) REVERT: DX 21 ASN cc_start: 0.7846 (p0) cc_final: 0.7546 (p0) REVERT: DY 1 MET cc_start: 0.6613 (tmm) cc_final: 0.6169 (tmm) REVERT: D0 2 GLU cc_start: 0.8573 (tp30) cc_final: 0.8124 (tp30) REVERT: D0 6 LYS cc_start: 0.9046 (mmtp) cc_final: 0.8598 (mmtp) REVERT: D0 9 LYS cc_start: 0.9272 (tptm) cc_final: 0.8929 (tptt) REVERT: D2 1 MET cc_start: 0.7365 (tmm) cc_final: 0.6802 (tmm) REVERT: D2 2 GLU cc_start: 0.7274 (tm-30) cc_final: 0.7053 (tm-30) REVERT: D2 9 LYS cc_start: 0.9328 (tppt) cc_final: 0.9018 (tppt) REVERT: D3 12 LYS cc_start: 0.9114 (ttpp) cc_final: 0.8750 (tppt) REVERT: D4 6 LYS cc_start: 0.9209 (mttm) cc_final: 0.8907 (mmtm) REVERT: D4 9 LYS cc_start: 0.9271 (tptt) cc_final: 0.9011 (tptm) REVERT: D4 13 ASP cc_start: 0.8740 (m-30) cc_final: 0.8275 (m-30) REVERT: D5 1 MET cc_start: 0.7371 (mtm) cc_final: 0.7071 (mtm) REVERT: D5 21 ASN cc_start: 0.7483 (OUTLIER) cc_final: 0.7027 (p0) REVERT: D6 1 MET cc_start: 0.7153 (tmm) cc_final: 0.5985 (mtt) REVERT: D7 12 LYS cc_start: 0.9177 (ttpt) cc_final: 0.8704 (tppt) REVERT: D7 13 ASP cc_start: 0.8977 (t0) cc_final: 0.8668 (t0) REVERT: D8 9 LYS cc_start: 0.9268 (tptm) cc_final: 0.9016 (tptm) REVERT: EA 1 MET cc_start: 0.6938 (tmm) cc_final: 0.6642 (tpp) REVERT: EB 2 GLU cc_start: 0.8308 (pm20) cc_final: 0.8091 (pm20) REVERT: EC 9 LYS cc_start: 0.9287 (tptm) cc_final: 0.8705 (tptt) REVERT: EC 13 ASP cc_start: 0.8868 (m-30) cc_final: 0.7980 (m-30) REVERT: EF 13 ASP cc_start: 0.8978 (t0) cc_final: 0.8534 (t0) REVERT: EG 2 GLU cc_start: 0.8637 (tp30) cc_final: 0.8435 (tp30) REVERT: EG 9 LYS cc_start: 0.9293 (tptt) cc_final: 0.8689 (tptp) REVERT: EG 13 ASP cc_start: 0.8787 (m-30) cc_final: 0.7405 (m-30) REVERT: EH 6 LYS cc_start: 0.9372 (ptmt) cc_final: 0.9034 (ptpp) REVERT: EK 2 GLU cc_start: 0.8872 (tp30) cc_final: 0.8336 (tp30) REVERT: EK 6 LYS cc_start: 0.9394 (mmtt) cc_final: 0.8892 (mttm) REVERT: EK 13 ASP cc_start: 0.8608 (m-30) cc_final: 0.8134 (m-30) REVERT: EL 12 LYS cc_start: 0.9301 (ttpt) cc_final: 0.9051 (tmmt) REVERT: EL 21 ASN cc_start: 0.7291 (p0) cc_final: 0.7059 (p0) REVERT: EN 12 LYS cc_start: 0.9281 (ttpt) cc_final: 0.8836 (tptp) REVERT: EO 1 MET cc_start: 0.7232 (pmm) cc_final: 0.6873 (ptp) REVERT: EP 6 LYS cc_start: 0.9246 (ptmt) cc_final: 0.8927 (ptpp) REVERT: EQ 13 ASP cc_start: 0.8980 (t70) cc_final: 0.8759 (t0) REVERT: ER 9 LYS cc_start: 0.9172 (tppt) cc_final: 0.8914 (ttmm) REVERT: ER 11 PHE cc_start: 0.9127 (m-10) cc_final: 0.8884 (m-80) REVERT: ES 9 LYS cc_start: 0.9187 (tptm) cc_final: 0.8666 (tptp) REVERT: ES 15 LEU cc_start: 0.8470 (OUTLIER) cc_final: 0.8141 (tt) REVERT: ET 12 LYS cc_start: 0.9354 (tmmt) cc_final: 0.9104 (tmmt) REVERT: EV 12 LYS cc_start: 0.9291 (tttm) cc_final: 0.8766 (tptp) REVERT: EW 9 LYS cc_start: 0.9215 (tptm) cc_final: 0.8814 (tptp) REVERT: EW 13 ASP cc_start: 0.8829 (m-30) cc_final: 0.8384 (m-30) REVERT: EW 19 LEU cc_start: 0.8114 (OUTLIER) cc_final: 0.7905 (tt) REVERT: EX 13 ASP cc_start: 0.8795 (t0) cc_final: 0.8437 (t0) REVERT: EY 9 LYS cc_start: 0.9284 (tppt) cc_final: 0.9074 (tppt) REVERT: EY 13 ASP cc_start: 0.8555 (p0) cc_final: 0.8255 (p0) REVERT: EZ 12 LYS cc_start: 0.9270 (tttt) cc_final: 0.8765 (tppt) REVERT: E0 6 LYS cc_start: 0.9203 (mmtp) cc_final: 0.8993 (mmtp) REVERT: E0 9 LYS cc_start: 0.9169 (tptm) cc_final: 0.8933 (tptm) REVERT: E0 19 LEU cc_start: 0.7982 (OUTLIER) cc_final: 0.7716 (tt) REVERT: E1 6 LYS cc_start: 0.9318 (ptmt) cc_final: 0.8902 (ptmt) REVERT: E4 1 MET cc_start: 0.7500 (pmm) cc_final: 0.6573 (pmm) REVERT: E4 2 GLU cc_start: 0.8946 (tp30) cc_final: 0.7951 (tp30) REVERT: E4 6 LYS cc_start: 0.9241 (mtpp) cc_final: 0.8822 (mttm) REVERT: E4 13 ASP cc_start: 0.8554 (m-30) cc_final: 0.8334 (m-30) REVERT: E4 18 PHE cc_start: 0.8767 (t80) cc_final: 0.8558 (t80) REVERT: E5 1 MET cc_start: 0.6908 (mtm) cc_final: 0.6506 (mtm) REVERT: E5 6 LYS cc_start: 0.9330 (ptmt) cc_final: 0.9031 (ptpp) REVERT: E7 13 ASP cc_start: 0.8895 (t0) cc_final: 0.8531 (t0) REVERT: E8 9 LYS cc_start: 0.9250 (tptt) cc_final: 0.8902 (tptm) REVERT: E8 13 ASP cc_start: 0.8484 (m-30) cc_final: 0.7851 (m-30) REVERT: FC 2 GLU cc_start: 0.8768 (tp30) cc_final: 0.8559 (tp30) REVERT: FC 6 LYS cc_start: 0.9282 (mmtm) cc_final: 0.8881 (mttm) REVERT: FC 9 LYS cc_start: 0.9094 (tptt) cc_final: 0.8443 (tptp) REVERT: FC 13 ASP cc_start: 0.8492 (m-30) cc_final: 0.6935 (m-30) REVERT: FD 6 LYS cc_start: 0.9256 (ptmt) cc_final: 0.8881 (ptmt) REVERT: FF 1 MET cc_start: 0.7057 (ptt) cc_final: 0.6706 (ptm) REVERT: FF 12 LYS cc_start: 0.9148 (tttt) cc_final: 0.8615 (tptp) REVERT: FG 9 LYS cc_start: 0.9192 (tptm) cc_final: 0.8792 (tptt) REVERT: FG 13 ASP cc_start: 0.8740 (m-30) cc_final: 0.8219 (m-30) REVERT: FH 1 MET cc_start: 0.7129 (mtm) cc_final: 0.6879 (mtm) REVERT: FH 6 LYS cc_start: 0.9263 (ptmt) cc_final: 0.8953 (ptpp) REVERT: FH 12 LYS cc_start: 0.9198 (tmmt) cc_final: 0.8992 (tmmt) REVERT: FK 9 LYS cc_start: 0.9104 (tptm) cc_final: 0.8696 (tptt) REVERT: FL 6 LYS cc_start: 0.9322 (ptmt) cc_final: 0.9033 (ptpp) REVERT: FN 13 ASP cc_start: 0.9044 (t0) cc_final: 0.8430 (t0) REVERT: FO 9 LYS cc_start: 0.9232 (tptt) cc_final: 0.8758 (tptp) REVERT: FO 13 ASP cc_start: 0.8624 (m-30) cc_final: 0.7710 (m-30) REVERT: FQ 1 MET cc_start: 0.6992 (ttm) cc_final: 0.6736 (ttm) REVERT: FS 2 GLU cc_start: 0.8826 (tp30) cc_final: 0.8247 (tp30) REVERT: FS 6 LYS cc_start: 0.8991 (ttmm) cc_final: 0.8704 (mmtm) REVERT: FS 9 LYS cc_start: 0.9184 (tptt) cc_final: 0.8660 (tptm) REVERT: FS 13 ASP cc_start: 0.8734 (m-30) cc_final: 0.7780 (m-30) REVERT: FT 6 LYS cc_start: 0.9348 (ptmt) cc_final: 0.9110 (ptpp) REVERT: FU 1 MET cc_start: 0.6538 (OUTLIER) cc_final: 0.6286 (ttt) REVERT: FU 2 GLU cc_start: 0.7232 (tm-30) cc_final: 0.6823 (tm-30) REVERT: FW 2 GLU cc_start: 0.8780 (tp30) cc_final: 0.8428 (tp30) REVERT: FW 6 LYS cc_start: 0.9373 (mmtt) cc_final: 0.9079 (mmtt) REVERT: FX 12 LYS cc_start: 0.9249 (tmmt) cc_final: 0.9011 (tmmt) REVERT: FX 21 ASN cc_start: 0.7191 (p0) cc_final: 0.6902 (p0) REVERT: FZ 2 GLU cc_start: 0.8205 (pm20) cc_final: 0.7925 (pm20) REVERT: FZ 12 LYS cc_start: 0.9262 (ttpt) cc_final: 0.8596 (tptp) REVERT: F0 2 GLU cc_start: 0.8971 (tp30) cc_final: 0.8607 (tp30) REVERT: F0 6 LYS cc_start: 0.9408 (mmtt) cc_final: 0.9122 (mmtt) REVERT: F0 13 ASP cc_start: 0.8755 (m-30) cc_final: 0.8484 (m-30) REVERT: F3 12 LYS cc_start: 0.9207 (tttt) cc_final: 0.8724 (tppt) REVERT: F4 9 LYS cc_start: 0.9134 (tptt) cc_final: 0.8567 (tptm) REVERT: F4 13 ASP cc_start: 0.8580 (m-30) cc_final: 0.7514 (m-30) REVERT: F5 12 LYS cc_start: 0.9302 (tmmt) cc_final: 0.8934 (tmmt) REVERT: F7 12 LYS cc_start: 0.9326 (ttpt) cc_final: 0.8781 (tppt) REVERT: F8 6 LYS cc_start: 0.9285 (mmtp) cc_final: 0.8977 (mttm) REVERT: F9 6 LYS cc_start: 0.9332 (ptmt) cc_final: 0.8974 (ptpp) REVERT: GB 1 MET cc_start: 0.7573 (ptt) cc_final: 0.7283 (ptm) REVERT: GB 12 LYS cc_start: 0.9268 (ttpt) cc_final: 0.8824 (tptp) REVERT: GC 2 GLU cc_start: 0.8954 (mm-30) cc_final: 0.8734 (mm-30) REVERT: GC 13 ASP cc_start: 0.8653 (m-30) cc_final: 0.8375 (m-30) REVERT: GD 6 LYS cc_start: 0.9256 (ptmt) cc_final: 0.8954 (ptpp) REVERT: GF 13 ASP cc_start: 0.8952 (t0) cc_final: 0.8425 (t0) REVERT: GG 2 GLU cc_start: 0.8778 (tp30) cc_final: 0.8210 (tp30) REVERT: GG 6 LYS cc_start: 0.9185 (mmtt) cc_final: 0.8897 (mmtt) REVERT: GH 12 LYS cc_start: 0.9305 (tmmt) cc_final: 0.9022 (tmmt) REVERT: GH 21 ASN cc_start: 0.7721 (OUTLIER) cc_final: 0.7468 (p0) REVERT: GI 1 MET cc_start: 0.6170 (ttt) cc_final: 0.5512 (ttt) REVERT: GJ 15 LEU cc_start: 0.9664 (tp) cc_final: 0.9425 (tp) REVERT: GK 2 GLU cc_start: 0.8761 (tp30) cc_final: 0.8442 (tp30) REVERT: GK 6 LYS cc_start: 0.9138 (mmtm) cc_final: 0.8891 (mmtm) REVERT: GK 9 LYS cc_start: 0.9260 (tptm) cc_final: 0.9056 (tptm) REVERT: GL 6 LYS cc_start: 0.9251 (ptmt) cc_final: 0.9018 (ptpp) REVERT: GM 9 LYS cc_start: 0.9334 (tppt) cc_final: 0.9065 (tppt) REVERT: GN 1 MET cc_start: 0.7245 (ptt) cc_final: 0.6898 (ptm) REVERT: GN 2 GLU cc_start: 0.8396 (pm20) cc_final: 0.8054 (pm20) REVERT: GO 9 LYS cc_start: 0.9266 (tptt) cc_final: 0.9014 (tptt) REVERT: GP 13 ASP cc_start: 0.8754 (t0) cc_final: 0.8534 (t0) REVERT: GR 12 LYS cc_start: 0.9233 (tttm) cc_final: 0.8863 (tppt) REVERT: GS 2 GLU cc_start: 0.8940 (tp30) cc_final: 0.8592 (tp30) REVERT: GS 6 LYS cc_start: 0.9232 (mttm) cc_final: 0.8897 (mmtt) REVERT: GS 9 LYS cc_start: 0.9195 (tptm) cc_final: 0.8694 (tptm) REVERT: GS 13 ASP cc_start: 0.8663 (m-30) cc_final: 0.8323 (m-30) REVERT: GS 19 LEU cc_start: 0.8152 (OUTLIER) cc_final: 0.7915 (tt) REVERT: GT 1 MET cc_start: 0.7023 (mtm) cc_final: 0.6774 (mtm) REVERT: GU 1 MET cc_start: 0.6851 (tmm) cc_final: 0.6372 (tmm) REVERT: GW 9 LYS cc_start: 0.9146 (tptm) cc_final: 0.8922 (tptm) REVERT: GW 13 ASP cc_start: 0.8534 (m-30) cc_final: 0.8134 (m-30) REVERT: GY 2 GLU cc_start: 0.7250 (tm-30) cc_final: 0.7039 (tm-30) REVERT: G0 2 GLU cc_start: 0.8724 (tp30) cc_final: 0.7871 (tp30) REVERT: G0 6 LYS cc_start: 0.9266 (mmtm) cc_final: 0.8811 (mmtt) REVERT: G1 1 MET cc_start: 0.6540 (mtm) cc_final: 0.6286 (mtm) REVERT: G1 6 LYS cc_start: 0.9410 (ptmt) cc_final: 0.9051 (ptpp) REVERT: G3 12 LYS cc_start: 0.9363 (ttpt) cc_final: 0.8948 (tppt) REVERT: G4 1 MET cc_start: 0.7313 (pmm) cc_final: 0.6792 (pmm) REVERT: G4 2 GLU cc_start: 0.8773 (tp30) cc_final: 0.8483 (tp30) REVERT: G5 6 LYS cc_start: 0.9270 (ptmt) cc_final: 0.8975 (ptpp) REVERT: G7 1 MET cc_start: 0.7284 (ptm) cc_final: 0.6828 (ptm) REVERT: G7 19 LEU cc_start: 0.8875 (mt) cc_final: 0.8579 (mt) REVERT: G8 2 GLU cc_start: 0.8555 (tp30) cc_final: 0.8229 (tp30) REVERT: G8 9 LYS cc_start: 0.9195 (tptt) cc_final: 0.8834 (tptp) REVERT: G8 13 ASP cc_start: 0.8749 (m-30) cc_final: 0.7677 (m-30) REVERT: G9 6 LYS cc_start: 0.9245 (ptpt) cc_final: 0.8825 (ptpp) REVERT: G9 12 LYS cc_start: 0.9431 (tmmt) cc_final: 0.9205 (tmmt) REVERT: G9 21 ASN cc_start: 0.7630 (OUTLIER) cc_final: 0.7329 (p0) REVERT: HC 9 LYS cc_start: 0.9250 (tptt) cc_final: 0.8898 (tptm) REVERT: HD 1 MET cc_start: 0.7365 (mtm) cc_final: 0.7064 (mtm) REVERT: HD 13 ASP cc_start: 0.8818 (t0) cc_final: 0.8544 (t0) REVERT: HE 1 MET cc_start: 0.7027 (OUTLIER) cc_final: 0.6516 (ttm) REVERT: HH 11 PHE cc_start: 0.8971 (OUTLIER) cc_final: 0.8752 (m-10) REVERT: HJ 13 ASP cc_start: 0.8882 (t0) cc_final: 0.8361 (t0) REVERT: HK 6 LYS cc_start: 0.9143 (mmtm) cc_final: 0.8923 (mmtm) REVERT: HK 9 LYS cc_start: 0.9228 (tptt) cc_final: 0.8580 (tptp) REVERT: HK 13 ASP cc_start: 0.8723 (m-30) cc_final: 0.7291 (m-30) REVERT: HL 1 MET cc_start: 0.6806 (mtm) cc_final: 0.6557 (mtm) REVERT: HL 13 ASP cc_start: 0.8783 (t0) cc_final: 0.8579 (t0) REVERT: HN 2 GLU cc_start: 0.8250 (pm20) cc_final: 0.7883 (pm20) REVERT: HO 9 LYS cc_start: 0.9309 (tptt) cc_final: 0.8563 (tptp) REVERT: HO 13 ASP cc_start: 0.8629 (m-30) cc_final: 0.7110 (m-30) REVERT: HP 6 LYS cc_start: 0.9220 (ptpt) cc_final: 0.8772 (ptpp) REVERT: HR 2 GLU cc_start: 0.8360 (pm20) cc_final: 0.8121 (pm20) REVERT: HR 13 ASP cc_start: 0.8974 (t0) cc_final: 0.8736 (t0) REVERT: HS 2 GLU cc_start: 0.8826 (tp30) cc_final: 0.8544 (tp30) REVERT: HS 6 LYS cc_start: 0.9322 (mmtt) cc_final: 0.9113 (mmtp) REVERT: HS 9 LYS cc_start: 0.9147 (tptm) cc_final: 0.8740 (tptm) REVERT: HS 13 ASP cc_start: 0.8747 (m-30) cc_final: 0.7949 (m-30) REVERT: HT 1 MET cc_start: 0.7081 (mtm) cc_final: 0.6872 (mtm) REVERT: HT 12 LYS cc_start: 0.9367 (tmmt) cc_final: 0.9041 (tmmt) REVERT: HU 1 MET cc_start: 0.6526 (tmm) cc_final: 0.6135 (tmm) REVERT: HW 9 LYS cc_start: 0.9219 (tptt) cc_final: 0.8904 (tptt) REVERT: HW 13 ASP cc_start: 0.8662 (m-30) cc_final: 0.8153 (m-30) REVERT: HW 15 LEU cc_start: 0.8358 (OUTLIER) cc_final: 0.8019 (tp) REVERT: HX 6 LYS cc_start: 0.9378 (ptmt) cc_final: 0.9108 (ptpp) REVERT: HZ 11 PHE cc_start: 0.9129 (m-10) cc_final: 0.8811 (m-80) REVERT: H0 2 GLU cc_start: 0.8861 (tp30) cc_final: 0.8268 (tp30) REVERT: H0 6 LYS cc_start: 0.9381 (mmtt) cc_final: 0.9027 (mmtt) REVERT: H0 9 LYS cc_start: 0.9282 (tptt) cc_final: 0.8922 (tptt) REVERT: H1 1 MET cc_start: 0.7802 (mtp) cc_final: 0.7551 (mtm) REVERT: H1 12 LYS cc_start: 0.9303 (tmmt) cc_final: 0.9044 (tmmt) REVERT: H3 2 GLU cc_start: 0.8397 (pm20) cc_final: 0.8144 (pm20) REVERT: H4 2 GLU cc_start: 0.8910 (tp30) cc_final: 0.8597 (tp30) REVERT: H4 6 LYS cc_start: 0.9350 (mmtt) cc_final: 0.9124 (mmtt) REVERT: H4 9 LYS cc_start: 0.9198 (tptt) cc_final: 0.8538 (tptt) REVERT: H4 13 ASP cc_start: 0.8627 (m-30) cc_final: 0.7776 (m-30) REVERT: H5 6 LYS cc_start: 0.9206 (ptpt) cc_final: 0.8930 (ptpp) REVERT: H5 12 LYS cc_start: 0.9363 (tmmt) cc_final: 0.9090 (tmmt) REVERT: H6 1 MET cc_start: 0.6380 (ttp) cc_final: 0.6163 (ttm) REVERT: H7 13 ASP cc_start: 0.9029 (t0) cc_final: 0.8506 (t0) REVERT: H8 9 LYS cc_start: 0.9238 (tptm) cc_final: 0.8754 (tptt) REVERT: H9 6 LYS cc_start: 0.9266 (ptmt) cc_final: 0.8909 (ptmt) REVERT: H9 21 ASN cc_start: 0.7752 (OUTLIER) cc_final: 0.7445 (p0) REVERT: IC 9 LYS cc_start: 0.9208 (tptt) cc_final: 0.8751 (tptp) REVERT: IC 13 ASP cc_start: 0.8525 (m-30) cc_final: 0.7639 (m-30) REVERT: ID 1 MET cc_start: 0.6993 (mtm) cc_final: 0.6687 (mtm) REVERT: IF 12 LYS cc_start: 0.9143 (tttm) cc_final: 0.8825 (tppt) REVERT: IH 6 LYS cc_start: 0.9323 (ptpt) cc_final: 0.9013 (ptpp) REVERT: IJ 12 LYS cc_start: 0.9157 (ttpt) cc_final: 0.8651 (tppt) REVERT: IJ 13 ASP cc_start: 0.8976 (t0) cc_final: 0.8506 (t0) REVERT: IK 9 LYS cc_start: 0.9183 (tptt) cc_final: 0.8719 (tptp) REVERT: IK 13 ASP cc_start: 0.8715 (m-30) cc_final: 0.7460 (m-30) REVERT: IK 19 LEU cc_start: 0.7827 (tt) cc_final: 0.7611 (tt) REVERT: IL 6 LYS cc_start: 0.9313 (ptpt) cc_final: 0.9082 (ptpp) REVERT: IL 21 ASN cc_start: 0.7272 (p0) cc_final: 0.6988 (p0) REVERT: IN 9 LYS cc_start: 0.9338 (tppt) cc_final: 0.9109 (ttmm) REVERT: IN 12 LYS cc_start: 0.9308 (ttpt) cc_final: 0.8834 (tptp) REVERT: IO 2 GLU cc_start: 0.8820 (tp30) cc_final: 0.8572 (tp30) REVERT: IO 6 LYS cc_start: 0.9159 (mttm) cc_final: 0.8958 (mtpp) REVERT: IO 9 LYS cc_start: 0.9267 (tptt) cc_final: 0.8713 (tptm) REVERT: IO 13 ASP cc_start: 0.8758 (m-30) cc_final: 0.7958 (m-30) REVERT: IP 1 MET cc_start: 0.7407 (mtm) cc_final: 0.6994 (mtm) REVERT: IP 6 LYS cc_start: 0.9258 (ptpt) cc_final: 0.8955 (ptpp) REVERT: IP 13 ASP cc_start: 0.8793 (t0) cc_final: 0.8472 (t0) REVERT: IQ 3 PHE cc_start: 0.8953 (m-80) cc_final: 0.8330 (m-10) REVERT: IR 2 GLU cc_start: 0.8250 (pm20) cc_final: 0.8019 (pm20) REVERT: IR 12 LYS cc_start: 0.9113 (tttt) cc_final: 0.8619 (tptp) REVERT: IS 6 LYS cc_start: 0.9278 (mmtm) cc_final: 0.9066 (mmtm) REVERT: IS 9 LYS cc_start: 0.9196 (tptt) cc_final: 0.8938 (tptm) REVERT: IT 6 LYS cc_start: 0.9275 (ptmt) cc_final: 0.9073 (ptpp) REVERT: IU 3 PHE cc_start: 0.8899 (m-80) cc_final: 0.8664 (m-80) REVERT: IU 13 ASP cc_start: 0.8288 (OUTLIER) cc_final: 0.8073 (p0) REVERT: IV 12 LYS cc_start: 0.9244 (ttpp) cc_final: 0.8802 (tppt) REVERT: IW 1 MET cc_start: 0.7371 (pmm) cc_final: 0.7116 (pmm) REVERT: IW 6 LYS cc_start: 0.9168 (mmtp) cc_final: 0.8880 (mmtm) REVERT: IW 18 PHE cc_start: 0.8695 (t80) cc_final: 0.8444 (t80) REVERT: IZ 12 LYS cc_start: 0.9151 (tttm) cc_final: 0.8837 (tppt) REVERT: I4 9 LYS cc_start: 0.9186 (tptt) cc_final: 0.8922 (tptp) REVERT: I5 12 LYS cc_start: 0.9257 (tmmt) cc_final: 0.9001 (tmmt) REVERT: I8 2 GLU cc_start: 0.8829 (tp30) cc_final: 0.8322 (tp30) REVERT: I8 6 LYS cc_start: 0.9142 (mmtm) cc_final: 0.8867 (mmtp) REVERT: I9 6 LYS cc_start: 0.9158 (ptmt) cc_final: 0.8915 (ptpp) REVERT: JC 9 LYS cc_start: 0.9079 (tptt) cc_final: 0.8730 (tptm) REVERT: JC 13 ASP cc_start: 0.8733 (m-30) cc_final: 0.7726 (m-30) REVERT: JD 12 LYS cc_start: 0.9365 (tmmt) cc_final: 0.9095 (tmmt) REVERT: JF 12 LYS cc_start: 0.9220 (tttm) cc_final: 0.8901 (tppt) REVERT: JG 9 LYS cc_start: 0.9246 (tptm) cc_final: 0.8742 (tppt) REVERT: JG 13 ASP cc_start: 0.8842 (OUTLIER) cc_final: 0.8135 (m-30) REVERT: JH 12 LYS cc_start: 0.9342 (tmmt) cc_final: 0.8994 (tmmt) REVERT: JJ 15 LEU cc_start: 0.9567 (tp) cc_final: 0.9276 (tp) REVERT: JK 2 GLU cc_start: 0.8692 (tp30) cc_final: 0.8482 (tp30) REVERT: JL 13 ASP cc_start: 0.8839 (t70) cc_final: 0.8466 (t0) REVERT: JN 13 ASP cc_start: 0.9046 (t0) cc_final: 0.8712 (t0) REVERT: JO 2 GLU cc_start: 0.8817 (tp30) cc_final: 0.8423 (tp30) REVERT: JO 6 LYS cc_start: 0.9399 (mmtt) cc_final: 0.9185 (mmtt) REVERT: JO 9 LYS cc_start: 0.9175 (tptm) cc_final: 0.8532 (tptm) REVERT: JO 13 ASP cc_start: 0.8748 (m-30) cc_final: 0.7917 (m-30) REVERT: JP 12 LYS cc_start: 0.9402 (tmmt) cc_final: 0.9141 (tmmt) REVERT: JP 13 ASP cc_start: 0.8793 (t0) cc_final: 0.8527 (t0) REVERT: JQ 9 LYS cc_start: 0.9369 (tppt) cc_final: 0.8929 (tppt) REVERT: JR 12 LYS cc_start: 0.9254 (tttt) cc_final: 0.8821 (tptp) REVERT: JS 9 LYS cc_start: 0.9259 (tptt) cc_final: 0.8850 (tptt) REVERT: JS 13 ASP cc_start: 0.8593 (m-30) cc_final: 0.7986 (m-30) REVERT: JT 6 LYS cc_start: 0.9303 (ptpt) cc_final: 0.8986 (ptmt) REVERT: JW 9 LYS cc_start: 0.9035 (tptt) cc_final: 0.8581 (tptm) REVERT: JW 13 ASP cc_start: 0.8567 (m-30) cc_final: 0.7661 (m-30) REVERT: JX 13 ASP cc_start: 0.8820 (t0) cc_final: 0.8583 (t70) REVERT: JZ 12 LYS cc_start: 0.9298 (ttpt) cc_final: 0.8934 (tptp) REVERT: JZ 13 ASP cc_start: 0.8919 (t0) cc_final: 0.8472 (t0) REVERT: J0 1 MET cc_start: 0.7452 (ptp) cc_final: 0.6990 (ptp) REVERT: J0 2 GLU cc_start: 0.8747 (tp30) cc_final: 0.8419 (tp30) REVERT: J0 9 LYS cc_start: 0.9293 (tptm) cc_final: 0.8968 (tptt) REVERT: J0 17 LYS cc_start: 0.9214 (mtpp) cc_final: 0.8906 (mtpt) REVERT: J3 9 LYS cc_start: 0.9110 (tppt) cc_final: 0.8897 (ttmm) REVERT: J3 13 ASP cc_start: 0.8977 (t0) cc_final: 0.8691 (t0) REVERT: J4 9 LYS cc_start: 0.9276 (tptm) cc_final: 0.8653 (tptt) REVERT: J4 13 ASP cc_start: 0.8566 (m-30) cc_final: 0.7472 (m-30) REVERT: J5 6 LYS cc_start: 0.9277 (ptmt) cc_final: 0.9068 (ptmm) REVERT: J5 13 ASP cc_start: 0.8882 (t0) cc_final: 0.8658 (t0) REVERT: J6 2 GLU cc_start: 0.7174 (tm-30) cc_final: 0.6831 (tm-30) REVERT: J8 9 LYS cc_start: 0.9191 (tptt) cc_final: 0.8927 (tptp) REVERT: J8 19 LEU cc_start: 0.7828 (OUTLIER) cc_final: 0.7515 (tt) REVERT: KA 9 LYS cc_start: 0.9271 (tppt) cc_final: 0.8876 (tppt) REVERT: KB 13 ASP cc_start: 0.9046 (t0) cc_final: 0.8567 (t0) REVERT: KC 9 LYS cc_start: 0.9217 (tptt) cc_final: 0.8606 (tptm) REVERT: KC 13 ASP cc_start: 0.8698 (m-30) cc_final: 0.7386 (m-30) REVERT: KC 19 LEU cc_start: 0.8041 (OUTLIER) cc_final: 0.7769 (tt) REVERT: KD 6 LYS cc_start: 0.9384 (ptpt) cc_final: 0.9019 (ptpp) REVERT: KD 13 ASP cc_start: 0.8913 (t0) cc_final: 0.8499 (t0) REVERT: KF 13 ASP cc_start: 0.8786 (t0) cc_final: 0.8179 (t70) REVERT: KG 2 GLU cc_start: 0.8743 (tp30) cc_final: 0.8277 (tp30) REVERT: KG 6 LYS cc_start: 0.9318 (mmtt) cc_final: 0.9058 (mmtt) REVERT: KH 1 MET cc_start: 0.7235 (mtm) cc_final: 0.6456 (mtm) REVERT: KK 9 LYS cc_start: 0.9175 (tptt) cc_final: 0.8876 (tptm) REVERT: KK 13 ASP cc_start: 0.8659 (m-30) cc_final: 0.7918 (m-30) REVERT: KL 6 LYS cc_start: 0.9392 (ptpt) cc_final: 0.9035 (pttt) REVERT: KO 9 LYS cc_start: 0.9208 (tptt) cc_final: 0.8655 (tptm) REVERT: KO 13 ASP cc_start: 0.8577 (m-30) cc_final: 0.7601 (m-30) REVERT: KP 6 LYS cc_start: 0.9359 (ptmt) cc_final: 0.8928 (ptmt) REVERT: KP 12 LYS cc_start: 0.9352 (tmmt) cc_final: 0.8975 (tmmt) REVERT: KP 15 LEU cc_start: 0.8715 (OUTLIER) cc_final: 0.8477 (tt) REVERT: KR 12 LYS cc_start: 0.9270 (ttpt) cc_final: 0.8865 (tppt) REVERT: KS 9 LYS cc_start: 0.9174 (tptm) cc_final: 0.8873 (tptm) REVERT: KS 13 ASP cc_start: 0.8766 (m-30) cc_final: 0.8412 (m-30) REVERT: KV 13 ASP cc_start: 0.8853 (t0) cc_final: 0.8497 (t0) REVERT: KW 1 MET cc_start: 0.7833 (pmm) cc_final: 0.7192 (pmm) REVERT: KW 13 ASP cc_start: 0.8758 (m-30) cc_final: 0.8513 (m-30) REVERT: KX 6 LYS cc_start: 0.9062 (ptpp) cc_final: 0.8745 (ptmm) REVERT: KY 10 PHE cc_start: 0.9100 (t80) cc_final: 0.8885 (t80) REVERT: KZ 12 LYS cc_start: 0.9167 (tttm) cc_final: 0.8653 (tptp) REVERT: K0 1 MET cc_start: 0.7120 (pmm) cc_final: 0.6901 (pmm) REVERT: K0 2 GLU cc_start: 0.8833 (tp30) cc_final: 0.8444 (tp30) REVERT: K0 6 LYS cc_start: 0.9330 (mmtt) cc_final: 0.8967 (mmtm) REVERT: K0 13 ASP cc_start: 0.8831 (m-30) cc_final: 0.8498 (m-30) REVERT: K1 1 MET cc_start: 0.7112 (mtm) cc_final: 0.6737 (mtm) REVERT: K1 6 LYS cc_start: 0.9341 (ptmt) cc_final: 0.8961 (ptpp) REVERT: K1 12 LYS cc_start: 0.9248 (tmmt) cc_final: 0.8976 (tmmt) REVERT: K1 13 ASP cc_start: 0.8838 (t0) cc_final: 0.8577 (t0) REVERT: K2 9 LYS cc_start: 0.9253 (tppt) cc_final: 0.8952 (tppt) REVERT: K3 9 LYS cc_start: 0.9277 (tppt) cc_final: 0.9020 (ttmm) REVERT: K3 12 LYS cc_start: 0.9174 (tttm) cc_final: 0.8942 (tppt) REVERT: K4 2 GLU cc_start: 0.8609 (tp30) cc_final: 0.8320 (tp30) REVERT: K4 6 LYS cc_start: 0.9257 (mmtm) cc_final: 0.8983 (mmtp) REVERT: K4 13 ASP cc_start: 0.8698 (m-30) cc_final: 0.8431 (m-30) REVERT: K5 6 LYS cc_start: 0.9187 (ptmt) cc_final: 0.8834 (ptmt) REVERT: K9 6 LYS cc_start: 0.9031 (ptpp) cc_final: 0.8805 (ptmm) REVERT: K9 21 ASN cc_start: 0.7475 (OUTLIER) cc_final: 0.7237 (p0) REVERT: LC 9 LYS cc_start: 0.9292 (tptm) cc_final: 0.9092 (tptm) REVERT: LD 1 MET cc_start: 0.6785 (mtm) cc_final: 0.6581 (mtm) REVERT: LD 18 PHE cc_start: 0.8838 (t80) cc_final: 0.8625 (t80) REVERT: LE 1 MET cc_start: 0.6650 (tmm) cc_final: 0.6219 (tmm) REVERT: LE 3 PHE cc_start: 0.9099 (m-80) cc_final: 0.8738 (m-80) REVERT: LF 2 GLU cc_start: 0.8254 (pm20) cc_final: 0.7891 (pm20) REVERT: LF 13 ASP cc_start: 0.8917 (t0) cc_final: 0.8653 (t0) REVERT: LG 1 MET cc_start: 0.7219 (pmm) cc_final: 0.6552 (pmm) REVERT: LG 9 LYS cc_start: 0.9196 (tptt) cc_final: 0.8963 (tptt) REVERT: LH 6 LYS cc_start: 0.9245 (ptpp) cc_final: 0.8988 (ptmm) REVERT: LI 2 GLU cc_start: 0.7379 (tm-30) cc_final: 0.7042 (tm-30) REVERT: LK 2 GLU cc_start: 0.8846 (tp30) cc_final: 0.8228 (tp30) REVERT: LK 6 LYS cc_start: 0.9428 (mmtt) cc_final: 0.8799 (mmtm) REVERT: LK 9 LYS cc_start: 0.9102 (tptm) cc_final: 0.8857 (tptm) REVERT: LK 13 ASP cc_start: 0.8820 (m-30) cc_final: 0.8508 (m-30) REVERT: LL 12 LYS cc_start: 0.9354 (tmmt) cc_final: 0.9074 (tmmt) REVERT: LL 21 ASN cc_start: 0.7293 (p0) cc_final: 0.7020 (p0) REVERT: LO 1 MET cc_start: 0.7487 (pmm) cc_final: 0.6576 (pmm) REVERT: LO 2 GLU cc_start: 0.8779 (tp30) cc_final: 0.8467 (tp30) REVERT: LO 9 LYS cc_start: 0.9251 (tptt) cc_final: 0.9016 (tptm) REVERT: LP 6 LYS cc_start: 0.9330 (ptmt) cc_final: 0.9080 (ptpp) REVERT: LS 9 LYS cc_start: 0.9192 (tptt) cc_final: 0.8874 (tptm) REVERT: LS 13 ASP cc_start: 0.8644 (m-30) cc_final: 0.8048 (m-30) REVERT: LT 12 LYS cc_start: 0.9385 (tmmt) cc_final: 0.9153 (tmmt) REVERT: LW 2 GLU cc_start: 0.8755 (tp30) cc_final: 0.8247 (tp30) REVERT: LW 6 LYS cc_start: 0.9220 (mmtp) cc_final: 0.8917 (mmtm) REVERT: LW 9 LYS cc_start: 0.9219 (tptt) cc_final: 0.8986 (tptm) REVERT: LX 6 LYS cc_start: 0.9319 (ptmt) cc_final: 0.8995 (ptpp) REVERT: LX 12 LYS cc_start: 0.9388 (tmmt) cc_final: 0.9037 (tmmt) REVERT: LY 18 PHE cc_start: 0.8778 (t80) cc_final: 0.8525 (t80) REVERT: LZ 12 LYS cc_start: 0.9069 (ttpt) cc_final: 0.8715 (tppt) REVERT: L0 9 LYS cc_start: 0.9234 (tptm) cc_final: 0.8982 (tptt) REVERT: L0 19 LEU cc_start: 0.7665 (OUTLIER) cc_final: 0.7456 (tt) REVERT: L4 6 LYS cc_start: 0.9351 (mmtm) cc_final: 0.9103 (mtpp) REVERT: L4 9 LYS cc_start: 0.9223 (tptt) cc_final: 0.8933 (tptt) REVERT: L5 1 MET cc_start: 0.7155 (mtm) cc_final: 0.6932 (mtm) REVERT: L5 11 PHE cc_start: 0.8633 (m-80) cc_final: 0.8433 (m-80) REVERT: L6 1 MET cc_start: 0.6513 (tmm) cc_final: 0.6217 (tmm) REVERT: L7 1 MET cc_start: 0.7439 (ptt) cc_final: 0.6867 (ptm) REVERT: L7 12 LYS cc_start: 0.9224 (ttpt) cc_final: 0.8694 (tppt) REVERT: L7 13 ASP cc_start: 0.9077 (t0) cc_final: 0.8607 (t0) REVERT: L8 2 GLU cc_start: 0.8742 (tp30) cc_final: 0.8515 (tp30) REVERT: L8 9 LYS cc_start: 0.9268 (tptm) cc_final: 0.8479 (tptm) REVERT: L8 13 ASP cc_start: 0.8799 (m-30) cc_final: 0.7981 (m-30) REVERT: L9 6 LYS cc_start: 0.9371 (ptpt) cc_final: 0.8969 (ptpp) REVERT: L9 13 ASP cc_start: 0.8893 (t0) cc_final: 0.8677 (t70) REVERT: MA 1 MET cc_start: 0.6435 (OUTLIER) cc_final: 0.5802 (tmm) REVERT: MB 9 LYS cc_start: 0.9236 (tppt) cc_final: 0.8994 (ttmm) REVERT: MC 2 GLU cc_start: 0.8883 (tp30) cc_final: 0.8537 (tp30) REVERT: MC 9 LYS cc_start: 0.9281 (tptt) cc_final: 0.8704 (tptm) REVERT: MC 13 ASP cc_start: 0.8735 (m-30) cc_final: 0.7823 (m-30) REVERT: MD 6 LYS cc_start: 0.9283 (ptmt) cc_final: 0.8888 (ptpp) REVERT: MD 12 LYS cc_start: 0.9394 (tmmt) cc_final: 0.8944 (tmmt) REVERT: MD 13 ASP cc_start: 0.8695 (t0) cc_final: 0.8449 (t0) REVERT: MF 12 LYS cc_start: 0.9172 (ttpt) cc_final: 0.8673 (tppt) REVERT: MG 2 GLU cc_start: 0.8652 (tp30) cc_final: 0.8179 (tp30) REVERT: MG 6 LYS cc_start: 0.9318 (mmtp) cc_final: 0.8986 (mmtm) REVERT: MG 13 ASP cc_start: 0.8699 (m-30) cc_final: 0.8147 (m-30) REVERT: MG 15 LEU cc_start: 0.8284 (OUTLIER) cc_final: 0.7752 (tt) REVERT: MH 6 LYS cc_start: 0.9279 (ptmt) cc_final: 0.9061 (ptpp) REVERT: MH 13 ASP cc_start: 0.8873 (t0) cc_final: 0.8498 (t0) REVERT: MJ 12 LYS cc_start: 0.9118 (ttpt) cc_final: 0.8628 (tppt) REVERT: MJ 13 ASP cc_start: 0.8859 (t0) cc_final: 0.8534 (t0) REVERT: MK 9 LYS cc_start: 0.9242 (tptm) cc_final: 0.9036 (tptt) REVERT: ML 12 LYS cc_start: 0.9376 (tmmt) cc_final: 0.9042 (tmmt) REVERT: MO 2 GLU cc_start: 0.8868 (tp30) cc_final: 0.8447 (tp30) REVERT: MO 6 LYS cc_start: 0.9237 (mtpp) cc_final: 0.8977 (mtpp) REVERT: MO 9 LYS cc_start: 0.9162 (tptt) cc_final: 0.8773 (tptp) REVERT: MO 13 ASP cc_start: 0.8711 (m-30) cc_final: 0.8046 (m-30) REVERT: MR 11 PHE cc_start: 0.9019 (m-10) cc_final: 0.8658 (m-80) REVERT: MT 6 LYS cc_start: 0.9026 (ptpp) cc_final: 0.8719 (ptmm) REVERT: MT 21 ASN cc_start: 0.7247 (p0) cc_final: 0.6869 (p0) REVERT: MX 12 LYS cc_start: 0.9299 (tmmt) cc_final: 0.9009 (tmmt) REVERT: M0 2 GLU cc_start: 0.8863 (tp30) cc_final: 0.8222 (tp30) REVERT: M0 6 LYS cc_start: 0.9096 (ttmm) cc_final: 0.8821 (mmtp) REVERT: M0 9 LYS cc_start: 0.9107 (tptt) cc_final: 0.8738 (tptp) REVERT: M0 13 ASP cc_start: 0.8676 (m-30) cc_final: 0.8058 (m-30) REVERT: M1 1 MET cc_start: 0.7147 (mtm) cc_final: 0.6870 (mtp) REVERT: M1 6 LYS cc_start: 0.9277 (ptmt) cc_final: 0.8997 (ptpp) REVERT: M4 9 LYS cc_start: 0.9237 (tptt) cc_final: 0.8917 (tptt) REVERT: M5 12 LYS cc_start: 0.9391 (tttm) cc_final: 0.9087 (tmmt) REVERT: M6 1 MET cc_start: 0.6303 (ttm) cc_final: 0.5940 (ttt) REVERT: M8 1 MET cc_start: 0.7946 (pmm) cc_final: 0.7264 (pmm) REVERT: M8 2 GLU cc_start: 0.8762 (tp30) cc_final: 0.8495 (tp30) REVERT: M8 9 LYS cc_start: 0.9229 (tptt) cc_final: 0.8474 (tptm) REVERT: M8 13 ASP cc_start: 0.8723 (m-30) cc_final: 0.7630 (m-30) REVERT: M9 6 LYS cc_start: 0.9239 (ptpt) cc_final: 0.8963 (ptpp) REVERT: M9 21 ASN cc_start: 0.7137 (p0) cc_final: 0.6739 (p0) REVERT: NB 12 LYS cc_start: 0.9278 (ttpt) cc_final: 0.8888 (tppt) REVERT: NC 13 ASP cc_start: 0.8626 (m-30) cc_final: 0.8378 (m-30) REVERT: ND 6 LYS cc_start: 0.9315 (ptmt) cc_final: 0.8956 (ptpp) REVERT: ND 12 LYS cc_start: 0.9372 (tmmt) cc_final: 0.9009 (tmmt) REVERT: ND 13 ASP cc_start: 0.8850 (t0) cc_final: 0.8599 (t0) REVERT: NF 13 ASP cc_start: 0.8933 (t0) cc_final: 0.8389 (t0) REVERT: NH 11 PHE cc_start: 0.8569 (m-80) cc_final: 0.8326 (m-80) REVERT: NK 1 MET cc_start: 0.6980 (pmm) cc_final: 0.6306 (pmm) REVERT: NL 13 ASP cc_start: 0.8871 (t0) cc_final: 0.8559 (t0) REVERT: NL 21 ASN cc_start: 0.7366 (p0) cc_final: 0.7134 (p0) REVERT: NM 2 GLU cc_start: 0.7876 (OUTLIER) cc_final: 0.7448 (tm-30) REVERT: NN 13 ASP cc_start: 0.8922 (t0) cc_final: 0.8537 (t0) REVERT: NO 2 GLU cc_start: 0.8806 (tp30) cc_final: 0.8329 (tp30) REVERT: NO 6 LYS cc_start: 0.9293 (mmtt) cc_final: 0.8924 (mmtt) REVERT: NO 9 LYS cc_start: 0.9172 (tptt) cc_final: 0.8531 (tptp) REVERT: NO 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.7515 (m-30) REVERT: NO 18 PHE cc_start: 0.8580 (t80) cc_final: 0.8324 (t80) REVERT: NR 12 LYS cc_start: 0.9263 (ttpt) cc_final: 0.8761 (tppt) REVERT: NS 17 LYS cc_start: 0.9056 (mtpt) cc_final: 0.8775 (mtpt) REVERT: NT 6 LYS cc_start: 0.9281 (ptmt) cc_final: 0.8911 (ptpp) REVERT: NT 13 ASP cc_start: 0.8842 (t0) cc_final: 0.8477 (t0) REVERT: NU 2 GLU cc_start: 0.7231 (tm-30) cc_final: 0.6889 (tm-30) REVERT: NV 13 ASP cc_start: 0.9021 (t0) cc_final: 0.8537 (t0) REVERT: NW 9 LYS cc_start: 0.9193 (tptm) cc_final: 0.8853 (tptt) REVERT: NX 1 MET cc_start: 0.7361 (mtm) cc_final: 0.7068 (mtp) REVERT: NZ 2 GLU cc_start: 0.8337 (pm20) cc_final: 0.8097 (pm20) REVERT: N0 2 GLU cc_start: 0.8861 (tp30) cc_final: 0.8550 (tp30) REVERT: N0 6 LYS cc_start: 0.9334 (mmtm) cc_final: 0.9104 (mmtt) REVERT: N0 13 ASP cc_start: 0.8576 (m-30) cc_final: 0.8222 (m-30) REVERT: N3 12 LYS cc_start: 0.9182 (tttm) cc_final: 0.8793 (tppt) REVERT: N4 9 LYS cc_start: 0.9258 (tptm) cc_final: 0.8988 (tptt) REVERT: N4 13 ASP cc_start: 0.8775 (m-30) cc_final: 0.8389 (m-30) REVERT: N7 12 LYS cc_start: 0.9170 (ttpt) cc_final: 0.8817 (tppp) REVERT: N8 9 LYS cc_start: 0.9104 (tptt) cc_final: 0.8797 (tptm) REVERT: N8 13 ASP cc_start: 0.8626 (m-30) cc_final: 0.8180 (m-30) REVERT: N9 9 LYS cc_start: 0.9189 (ttpt) cc_final: 0.8980 (ttmt) REVERT: N9 12 LYS cc_start: 0.9252 (tmmt) cc_final: 0.8950 (tmmt) REVERT: N9 13 ASP cc_start: 0.8824 (t0) cc_final: 0.8503 (t0) REVERT: N9 21 ASN cc_start: 0.7621 (OUTLIER) cc_final: 0.7323 (p0) REVERT: OC 9 LYS cc_start: 0.9312 (tptm) cc_final: 0.8701 (tptp) REVERT: OC 13 ASP cc_start: 0.8664 (m-30) cc_final: 0.7883 (m-30) REVERT: OD 1 MET cc_start: 0.6992 (mtm) cc_final: 0.6687 (mtm) REVERT: OD 6 LYS cc_start: 0.9177 (ptmt) cc_final: 0.8957 (ptpp) REVERT: OE 9 LYS cc_start: 0.9294 (tppt) cc_final: 0.9064 (tppt) REVERT: OF 12 LYS cc_start: 0.9175 (tttm) cc_final: 0.8894 (tppt) REVERT: OH 6 LYS cc_start: 0.9290 (ptmt) cc_final: 0.8905 (ptmt) REVERT: OK 2 GLU cc_start: 0.8722 (tp30) cc_final: 0.8187 (tp30) REVERT: OK 6 LYS cc_start: 0.9345 (mttm) cc_final: 0.9045 (mttm) REVERT: OL 13 ASP cc_start: 0.8884 (t0) cc_final: 0.8554 (t0) REVERT: OO 9 LYS cc_start: 0.9158 (tptt) cc_final: 0.8772 (tptt) REVERT: OP 1 MET cc_start: 0.7183 (mtm) cc_final: 0.6974 (mtm) REVERT: OP 6 LYS cc_start: 0.9183 (ptmt) cc_final: 0.8917 (ptpp) REVERT: OP 13 ASP cc_start: 0.8841 (t70) cc_final: 0.8501 (t70) REVERT: OQ 1 MET cc_start: 0.7156 (ttp) cc_final: 0.6597 (tmm) REVERT: OQ 2 GLU cc_start: 0.7713 (tm-30) cc_final: 0.7461 (tm-30) REVERT: OR 12 LYS cc_start: 0.9257 (ttpt) cc_final: 0.8678 (tppt) REVERT: OR 13 ASP cc_start: 0.8894 (t0) cc_final: 0.8432 (t0) REVERT: OS 9 LYS cc_start: 0.9255 (tptm) cc_final: 0.8801 (tptt) REVERT: OS 13 ASP cc_start: 0.8607 (m-30) cc_final: 0.7787 (m-30) REVERT: OT 1 MET cc_start: 0.7151 (mtm) cc_final: 0.6627 (mtm) REVERT: OT 15 LEU cc_start: 0.9017 (OUTLIER) cc_final: 0.8547 (tp) REVERT: OT 18 PHE cc_start: 0.9035 (t80) cc_final: 0.8761 (t80) REVERT: OW 19 LEU cc_start: 0.8210 (OUTLIER) cc_final: 0.8009 (tt) REVERT: OX 6 LYS cc_start: 0.9305 (ptmt) cc_final: 0.9004 (ptpp) REVERT: OZ 12 LYS cc_start: 0.9189 (ttpt) cc_final: 0.8680 (tppt) REVERT: O1 6 LYS cc_start: 0.9273 (ptmt) cc_final: 0.9042 (ptpp) REVERT: O1 12 LYS cc_start: 0.9296 (tmmt) cc_final: 0.9040 (tmmt) REVERT: O3 6 LYS cc_start: 0.9209 (ttmm) cc_final: 0.8973 (mtmm) REVERT: O4 1 MET cc_start: 0.3424 (OUTLIER) cc_final: 0.2576 (mmt) REVERT: O4 13 ASP cc_start: 0.8825 (m-30) cc_final: 0.8538 (m-30) REVERT: O4 17 LYS cc_start: 0.9141 (mtpp) cc_final: 0.8816 (mtpp) REVERT: O5 6 LYS cc_start: 0.9353 (ptpt) cc_final: 0.9044 (pttt) REVERT: O5 13 ASP cc_start: 0.8801 (t0) cc_final: 0.8493 (t70) REVERT: O6 1 MET cc_start: 0.6259 (tmm) cc_final: 0.5872 (tmm) REVERT: O6 2 GLU cc_start: 0.8426 (tp30) cc_final: 0.7998 (tp30) REVERT: O7 13 ASP cc_start: 0.8953 (t0) cc_final: 0.8611 (t0) REVERT: O8 9 LYS cc_start: 0.9170 (tptt) cc_final: 0.8749 (tptp) REVERT: O8 13 ASP cc_start: 0.8587 (m-30) cc_final: 0.7733 (m-30) REVERT: O8 15 LEU cc_start: 0.8266 (OUTLIER) cc_final: 0.8020 (tp) REVERT: O9 6 LYS cc_start: 0.9224 (ptpt) cc_final: 0.9016 (ptpp) REVERT: O9 21 ASN cc_start: 0.7111 (p0) cc_final: 0.6848 (p0) REVERT: PA 9 LYS cc_start: 0.9308 (tppt) cc_final: 0.9038 (tppt) REVERT: PC 2 GLU cc_start: 0.8802 (tp30) cc_final: 0.8125 (tp30) REVERT: PC 9 LYS cc_start: 0.9220 (tptm) cc_final: 0.8472 (tptm) REVERT: PC 13 ASP cc_start: 0.8800 (m-30) cc_final: 0.8100 (m-30) REVERT: PF 15 LEU cc_start: 0.9657 (tp) cc_final: 0.9449 (tp) REVERT: PG 13 ASP cc_start: 0.8734 (m-30) cc_final: 0.8529 (m-30) REVERT: PJ 13 ASP cc_start: 0.8938 (t0) cc_final: 0.8337 (t70) REVERT: PK 13 ASP cc_start: 0.8771 (m-30) cc_final: 0.8514 (m-30) REVERT: PL 6 LYS cc_start: 0.9263 (ptpt) cc_final: 0.8979 (ptpp) REVERT: PN 13 ASP cc_start: 0.9083 (t0) cc_final: 0.8790 (t0) REVERT: PO 9 LYS cc_start: 0.9173 (tptt) cc_final: 0.8553 (tptm) REVERT: PO 13 ASP cc_start: 0.8576 (m-30) cc_final: 0.7584 (m-30) REVERT: PP 6 LYS cc_start: 0.9258 (ptmt) cc_final: 0.8986 (ptpp) REVERT: PP 21 ASN cc_start: 0.7437 (p0) cc_final: 0.7194 (p0) REVERT: PS 9 LYS cc_start: 0.9281 (tptm) cc_final: 0.8820 (tptm) REVERT: PS 13 ASP cc_start: 0.8843 (m-30) cc_final: 0.8154 (m-30) REVERT: PS 19 LEU cc_start: 0.8226 (OUTLIER) cc_final: 0.8002 (tt) REVERT: PV 12 LYS cc_start: 0.9202 (tttm) cc_final: 0.8803 (tptp) REVERT: PV 13 ASP cc_start: 0.9049 (t0) cc_final: 0.8525 (t0) REVERT: PW 9 LYS cc_start: 0.9214 (tptt) cc_final: 0.8697 (tptm) REVERT: PW 13 ASP cc_start: 0.8571 (m-30) cc_final: 0.7685 (m-30) REVERT: PX 6 LYS cc_start: 0.9270 (ptmt) cc_final: 0.8994 (ptpp) REVERT: PZ 12 LYS cc_start: 0.9275 (ttpt) cc_final: 0.8915 (tppt) REVERT: P0 9 LYS cc_start: 0.9184 (tptt) cc_final: 0.8834 (tptm) REVERT: P0 13 ASP cc_start: 0.8621 (m-30) cc_final: 0.7738 (m-30) REVERT: P1 15 LEU cc_start: 0.8722 (OUTLIER) cc_final: 0.8455 (tp) REVERT: P3 9 LYS cc_start: 0.9320 (tppt) cc_final: 0.9070 (ttmm) REVERT: P4 2 GLU cc_start: 0.8951 (tp30) cc_final: 0.8392 (tp30) REVERT: P4 9 LYS cc_start: 0.9178 (tptm) cc_final: 0.8600 (tptm) REVERT: P4 13 ASP cc_start: 0.8684 (m-30) cc_final: 0.8029 (m-30) REVERT: P5 6 LYS cc_start: 0.9291 (ptmt) cc_final: 0.9048 (ptpp) REVERT: P5 12 LYS cc_start: 0.9353 (tmmt) cc_final: 0.9059 (tmmt) REVERT: P6 13 ASP cc_start: 0.8619 (OUTLIER) cc_final: 0.8415 (p0) REVERT: P9 1 MET cc_start: 0.7359 (mtm) cc_final: 0.7121 (mtm) REVERT: QC 9 LYS cc_start: 0.9224 (tptt) cc_final: 0.8859 (tptm) REVERT: QC 13 ASP cc_start: 0.8640 (m-30) cc_final: 0.8011 (m-30) REVERT: QD 6 LYS cc_start: 0.9314 (ptmt) cc_final: 0.9027 (ptpp) REVERT: QD 13 ASP cc_start: 0.8869 (t0) cc_final: 0.8629 (t0) REVERT: QF 1 MET cc_start: 0.6691 (OUTLIER) cc_final: 0.6383 (ptt) REVERT: QF 13 ASP cc_start: 0.8852 (t0) cc_final: 0.8219 (t0) REVERT: QG 9 LYS cc_start: 0.9271 (tptt) cc_final: 0.8849 (tptm) REVERT: QG 13 ASP cc_start: 0.8624 (m-30) cc_final: 0.7786 (m-30) REVERT: QH 6 LYS cc_start: 0.9299 (ptmt) cc_final: 0.9020 (ptmt) REVERT: QH 12 LYS cc_start: 0.9385 (tmmt) cc_final: 0.9077 (tmmt) REVERT: QK 9 LYS cc_start: 0.9247 (tptm) cc_final: 0.8847 (tptm) REVERT: QL 11 PHE cc_start: 0.8806 (m-80) cc_final: 0.8553 (m-80) REVERT: QO 9 LYS cc_start: 0.9184 (tptt) cc_final: 0.8586 (tptt) REVERT: QO 13 ASP cc_start: 0.8552 (m-30) cc_final: 0.7495 (m-30) REVERT: QP 15 LEU cc_start: 0.8806 (OUTLIER) cc_final: 0.8503 (tp) REVERT: QP 18 PHE cc_start: 0.8794 (t80) cc_final: 0.8447 (t80) REVERT: QQ 1 MET cc_start: 0.7104 (ttp) cc_final: 0.6679 (tmm) REVERT: QQ 3 PHE cc_start: 0.8759 (m-80) cc_final: 0.8484 (m-10) REVERT: QS 2 GLU cc_start: 0.8572 (tp30) cc_final: 0.8281 (tp30) REVERT: QS 19 LEU cc_start: 0.7720 (OUTLIER) cc_final: 0.7509 (tt) REVERT: QT 13 ASP cc_start: 0.8814 (t0) cc_final: 0.8566 (t70) REVERT: QU 2 GLU cc_start: 0.7048 (tm-30) cc_final: 0.6844 (tm-30) REVERT: QX 1 MET cc_start: 0.7208 (mtm) cc_final: 0.6920 (mtm) REVERT: QX 6 LYS cc_start: 0.9215 (ptmt) cc_final: 0.8861 (ptpp) REVERT: QX 13 ASP cc_start: 0.8746 (t0) cc_final: 0.8534 (t0) REVERT: QX 21 ASN cc_start: 0.7454 (p0) cc_final: 0.7073 (p0) REVERT: QZ 12 LYS cc_start: 0.9123 (ttpt) cc_final: 0.8679 (tppt) REVERT: Q1 13 ASP cc_start: 0.8872 (t0) cc_final: 0.8526 (t0) REVERT: Q1 21 ASN cc_start: 0.7498 (p0) cc_final: 0.7132 (p0) REVERT: Q4 2 GLU cc_start: 0.8917 (tp30) cc_final: 0.8307 (tp30) REVERT: Q4 6 LYS cc_start: 0.9392 (mmtt) cc_final: 0.9027 (mmtm) REVERT: Q4 9 LYS cc_start: 0.9160 (tptt) cc_final: 0.8947 (tptp) REVERT: Q5 13 ASP cc_start: 0.8806 (t0) cc_final: 0.8521 (t0) REVERT: Q7 2 GLU cc_start: 0.8467 (pm20) cc_final: 0.8216 (pm20) REVERT: Q7 12 LYS cc_start: 0.9176 (ttpt) cc_final: 0.8472 (tptp) REVERT: Q8 2 GLU cc_start: 0.8829 (tp30) cc_final: 0.8185 (tp30) REVERT: Q8 9 LYS cc_start: 0.9227 (tptt) cc_final: 0.8821 (tptt) REVERT: Q8 13 ASP cc_start: 0.8706 (m-30) cc_final: 0.8095 (m-30) REVERT: Q9 1 MET cc_start: 0.7388 (mtm) cc_final: 0.7125 (mtm) REVERT: RA 1 MET cc_start: 0.6632 (ttm) cc_final: 0.6355 (ttm) REVERT: RC 9 LYS cc_start: 0.9197 (tptt) cc_final: 0.8796 (tptp) REVERT: RC 13 ASP cc_start: 0.8630 (m-30) cc_final: 0.7390 (m-30) REVERT: RC 19 LEU cc_start: 0.7966 (OUTLIER) cc_final: 0.7746 (tt) REVERT: RD 6 LYS cc_start: 0.9266 (ptmt) cc_final: 0.8981 (ptpp) REVERT: RG 9 LYS cc_start: 0.9288 (tptt) cc_final: 0.9006 (tptm) REVERT: RG 13 ASP cc_start: 0.8635 (m-30) cc_final: 0.8036 (m-30) REVERT: RH 13 ASP cc_start: 0.8777 (t0) cc_final: 0.8491 (t0) REVERT: RJ 12 LYS cc_start: 0.9114 (tttm) cc_final: 0.8665 (tptp) REVERT: RK 9 LYS cc_start: 0.9160 (tptm) cc_final: 0.8864 (tptt) REVERT: RL 13 ASP cc_start: 0.8920 (t0) cc_final: 0.8715 (t70) REVERT: RN 9 LYS cc_start: 0.9122 (ttmm) cc_final: 0.8907 (tppt) REVERT: RO 9 LYS cc_start: 0.9197 (tptt) cc_final: 0.8775 (tptm) REVERT: RO 13 ASP cc_start: 0.8777 (m-30) cc_final: 0.7869 (m-30) REVERT: RP 6 LYS cc_start: 0.9350 (ptmt) cc_final: 0.9111 (ptpp) REVERT: RQ 13 ASP cc_start: 0.8456 (OUTLIER) cc_final: 0.8204 (p0) REVERT: RR 12 LYS cc_start: 0.9171 (tttm) cc_final: 0.8653 (tppt) REVERT: RT 6 LYS cc_start: 0.9315 (ptmt) cc_final: 0.9074 (ptpp) REVERT: RV 2 GLU cc_start: 0.8254 (pm20) cc_final: 0.7965 (pm20) REVERT: RV 12 LYS cc_start: 0.9160 (tttt) cc_final: 0.8550 (tptp) REVERT: RW 1 MET cc_start: 0.3629 (OUTLIER) cc_final: 0.2535 (mmt) REVERT: RW 9 LYS cc_start: 0.9310 (tptt) cc_final: 0.8985 (tptm) REVERT: RW 13 ASP cc_start: 0.8601 (m-30) cc_final: 0.8004 (m-30) REVERT: RX 6 LYS cc_start: 0.9278 (ptpt) cc_final: 0.9077 (ptpp) REVERT: RX 21 ASN cc_start: 0.7284 (p0) cc_final: 0.7058 (p0) REVERT: R0 2 GLU cc_start: 0.8820 (tp30) cc_final: 0.8296 (tp30) REVERT: R0 6 LYS cc_start: 0.9365 (mmtt) cc_final: 0.8997 (mmtp) REVERT: R1 6 LYS cc_start: 0.9309 (ptmt) cc_final: 0.9043 (ptpp) REVERT: R3 9 LYS cc_start: 0.9256 (tppt) cc_final: 0.9045 (ttmm) REVERT: R4 2 GLU cc_start: 0.8726 (tp30) cc_final: 0.8509 (tp30) REVERT: R4 13 ASP cc_start: 0.8815 (m-30) cc_final: 0.8569 (m-30) REVERT: R5 6 LYS cc_start: 0.9277 (ptmt) cc_final: 0.8951 (ptmt) REVERT: R6 2 GLU cc_start: 0.8734 (tp30) cc_final: 0.8334 (pp20) REVERT: R7 9 LYS cc_start: 0.9226 (tppt) cc_final: 0.8985 (ttmm) REVERT: R8 9 LYS cc_start: 0.9236 (tptm) cc_final: 0.8599 (tptp) REVERT: R8 13 ASP cc_start: 0.8792 (m-30) cc_final: 0.7832 (m-30) REVERT: SA 1 MET cc_start: 0.6520 (tmm) cc_final: 0.6125 (tmm) REVERT: SB 12 LYS cc_start: 0.9214 (ttpt) cc_final: 0.8563 (tptp) REVERT: SC 9 LYS cc_start: 0.9212 (tptt) cc_final: 0.8750 (tptm) REVERT: SC 13 ASP cc_start: 0.8568 (m-30) cc_final: 0.7783 (m-30) REVERT: SD 6 LYS cc_start: 0.9317 (ptmt) cc_final: 0.8919 (ptpp) REVERT: SD 11 PHE cc_start: 0.8697 (m-80) cc_final: 0.8485 (m-80) REVERT: SF 13 ASP cc_start: 0.8947 (t0) cc_final: 0.8442 (t0) REVERT: SG 2 GLU cc_start: 0.9041 (tp30) cc_final: 0.8709 (tp30) REVERT: SG 6 LYS cc_start: 0.9384 (mmtt) cc_final: 0.9116 (mmtm) REVERT: SG 9 LYS cc_start: 0.9226 (tptm) cc_final: 0.8885 (tptm) REVERT: SG 13 ASP cc_start: 0.8536 (m-30) cc_final: 0.7797 (m-30) REVERT: SI 9 LYS cc_start: 0.9288 (tppt) cc_final: 0.9045 (tppt) REVERT: SI 13 ASP cc_start: 0.8334 (OUTLIER) cc_final: 0.8098 (p0) REVERT: SJ 9 LYS cc_start: 0.9152 (tppt) cc_final: 0.8942 (ttmm) REVERT: SJ 12 LYS cc_start: 0.9234 (tttm) cc_final: 0.8764 (tppt) REVERT: SK 2 GLU cc_start: 0.8718 (tp30) cc_final: 0.8204 (tp30) REVERT: SK 9 LYS cc_start: 0.9255 (tptm) cc_final: 0.8818 (tptt) REVERT: SK 13 ASP cc_start: 0.8560 (m-30) cc_final: 0.7998 (m-30) REVERT: SL 6 LYS cc_start: 0.9150 (ptmt) cc_final: 0.8922 (ptpp) REVERT: SO 2 GLU cc_start: 0.8771 (tp30) cc_final: 0.8291 (tp30) REVERT: SO 6 LYS cc_start: 0.9244 (mmtp) cc_final: 0.9027 (mmtp) REVERT: SO 9 LYS cc_start: 0.9288 (tptm) cc_final: 0.8964 (tptt) REVERT: SO 13 ASP cc_start: 0.8802 (m-30) cc_final: 0.8457 (m-30) REVERT: SP 1 MET cc_start: 0.7320 (mtm) cc_final: 0.7064 (mtm) REVERT: SQ 3 PHE cc_start: 0.9027 (m-80) cc_final: 0.8740 (m-80) REVERT: SQ 13 ASP cc_start: 0.8423 (OUTLIER) cc_final: 0.8207 (p0) REVERT: SS 9 LYS cc_start: 0.9260 (tptm) cc_final: 0.8781 (tptt) REVERT: SS 19 LEU cc_start: 0.7886 (OUTLIER) cc_final: 0.7592 (tt) REVERT: ST 13 ASP cc_start: 0.8797 (t0) cc_final: 0.8490 (t0) REVERT: SV 12 LYS cc_start: 0.9278 (ttpt) cc_final: 0.8911 (tppt) REVERT: SW 9 LYS cc_start: 0.9139 (tptm) cc_final: 0.8848 (tptm) REVERT: SW 13 ASP cc_start: 0.8763 (m-30) cc_final: 0.8399 (m-30) REVERT: SX 6 LYS cc_start: 0.9195 (ptmt) cc_final: 0.8941 (ptpp) REVERT: SY 2 GLU cc_start: 0.8308 (tp30) cc_final: 0.7954 (tp30) REVERT: S0 9 LYS cc_start: 0.9017 (tptt) cc_final: 0.8693 (tptm) REVERT: S0 13 ASP cc_start: 0.8654 (m-30) cc_final: 0.7852 (m-30) REVERT: S1 6 LYS cc_start: 0.9269 (ptpt) cc_final: 0.8946 (pttt) REVERT: S4 9 LYS cc_start: 0.9221 (tptm) cc_final: 0.8909 (tptt) REVERT: S4 13 ASP cc_start: 0.8567 (m-30) cc_final: 0.8000 (m-30) REVERT: S4 17 LYS cc_start: 0.9129 (mtpt) cc_final: 0.8729 (mtpp) REVERT: S5 6 LYS cc_start: 0.9299 (ptmt) cc_final: 0.8896 (ptmt) REVERT: S7 11 PHE cc_start: 0.9063 (m-10) cc_final: 0.8808 (m-80) REVERT: S7 13 ASP cc_start: 0.8978 (t0) cc_final: 0.8452 (t0) REVERT: S8 9 LYS cc_start: 0.9269 (tptm) cc_final: 0.8968 (tptt) REVERT: S8 13 ASP cc_start: 0.8692 (m-30) cc_final: 0.8149 (m-30) REVERT: S9 6 LYS cc_start: 0.9197 (OUTLIER) cc_final: 0.8975 (ptpp) REVERT: S9 13 ASP cc_start: 0.8752 (t0) cc_final: 0.8497 (t0) REVERT: TA 2 GLU cc_start: 0.7212 (tm-30) cc_final: 0.6909 (tm-30) REVERT: TB 1 MET cc_start: 0.6808 (ptt) cc_final: 0.6511 (ptt) REVERT: TB 9 LYS cc_start: 0.9266 (tppt) cc_final: 0.9060 (ttmm) REVERT: TB 12 LYS cc_start: 0.9205 (ttpt) cc_final: 0.8624 (tptp) REVERT: TC 13 ASP cc_start: 0.8647 (m-30) cc_final: 0.8305 (m-30) REVERT: TE 1 MET cc_start: 0.7150 (ttt) cc_final: 0.6890 (ttt) REVERT: TF 9 LYS cc_start: 0.9253 (tppt) cc_final: 0.9019 (ttmm) REVERT: TF 12 LYS cc_start: 0.9222 (tttm) cc_final: 0.8779 (tppt) REVERT: TJ 9 LYS cc_start: 0.9208 (tppt) cc_final: 0.8991 (ttmm) REVERT: TJ 12 LYS cc_start: 0.9072 (tttm) cc_final: 0.8786 (tppt) REVERT: TK 9 LYS cc_start: 0.9227 (tptt) cc_final: 0.8828 (tptm) REVERT: TK 12 LYS cc_start: 0.9088 (ttmt) cc_final: 0.8781 (mptt) REVERT: TK 13 ASP cc_start: 0.8717 (m-30) cc_final: 0.8093 (m-30) REVERT: TL 6 LYS cc_start: 0.9240 (ptmt) cc_final: 0.8897 (ptpp) REVERT: TM 1 MET cc_start: 0.7164 (tmm) cc_final: 0.6320 (tmm) REVERT: TN 12 LYS cc_start: 0.9036 (tttm) cc_final: 0.8821 (tptt) REVERT: TO 12 LYS cc_start: 0.9161 (ttmt) cc_final: 0.8911 (mptt) REVERT: TO 13 ASP cc_start: 0.8707 (m-30) cc_final: 0.7998 (m-30) REVERT: TO 17 LYS cc_start: 0.9120 (mtpp) cc_final: 0.8861 (mtpp) REVERT: TP 13 ASP cc_start: 0.8689 (t0) cc_final: 0.8403 (t0) REVERT: TQ 1 MET cc_start: 0.6490 (tmm) cc_final: 0.6077 (tmm) REVERT: TR 12 LYS cc_start: 0.9114 (tttm) cc_final: 0.8760 (tppt) REVERT: TS 13 ASP cc_start: 0.8510 (m-30) cc_final: 0.8254 (m-30) REVERT: TT 1 MET cc_start: 0.6985 (mtm) cc_final: 0.6750 (mtm) REVERT: TT 12 LYS cc_start: 0.9419 (tmmt) cc_final: 0.9174 (tmmt) REVERT: TV 12 LYS cc_start: 0.9086 (tttm) cc_final: 0.8710 (tppt) REVERT: TW 9 LYS cc_start: 0.9180 (tptt) cc_final: 0.8896 (tptm) REVERT: TW 12 LYS cc_start: 0.9105 (ttmt) cc_final: 0.8814 (mptt) REVERT: TW 13 ASP cc_start: 0.8663 (m-30) cc_final: 0.8127 (m-30) REVERT: TX 1 MET cc_start: 0.6885 (mtm) cc_final: 0.6603 (mtm) REVERT: TX 9 LYS cc_start: 0.9114 (OUTLIER) cc_final: 0.8883 (ttmt) REVERT: TZ 12 LYS cc_start: 0.9107 (tttm) cc_final: 0.8797 (tppt) REVERT: TZ 13 ASP cc_start: 0.9078 (t0) cc_final: 0.8487 (t0) REVERT: T0 9 LYS cc_start: 0.9185 (tptm) cc_final: 0.8802 (tptm) REVERT: T0 12 LYS cc_start: 0.9061 (ttmt) cc_final: 0.8803 (mptt) REVERT: T1 6 LYS cc_start: 0.9278 (ptpt) cc_final: 0.9016 (ptpp) REVERT: T3 12 LYS cc_start: 0.9107 (tttm) cc_final: 0.8802 (tppt) REVERT: T4 9 LYS cc_start: 0.9322 (tptt) cc_final: 0.8951 (tptp) REVERT: T4 13 ASP cc_start: 0.8540 (m-30) cc_final: 0.7622 (m-30) REVERT: T5 12 LYS cc_start: 0.9397 (tmmt) cc_final: 0.9082 (tmmt) REVERT: T5 21 ASN cc_start: 0.6968 (p0) cc_final: 0.6551 (p0) REVERT: T7 12 LYS cc_start: 0.9141 (tttm) cc_final: 0.8760 (tppt) REVERT: T8 2 GLU cc_start: 0.8657 (tp30) cc_final: 0.8289 (tp30) REVERT: T8 9 LYS cc_start: 0.9180 (tptt) cc_final: 0.8681 (tptm) REVERT: T8 12 LYS cc_start: 0.9147 (ttmt) cc_final: 0.8888 (mptt) REVERT: T8 13 ASP cc_start: 0.8523 (m-30) cc_final: 0.7611 (m-30) REVERT: T9 6 LYS cc_start: 0.9211 (ptmt) cc_final: 0.8943 (ptpp) REVERT: UB 9 LYS cc_start: 0.9087 (tppt) cc_final: 0.8820 (ttmm) REVERT: UB 12 LYS cc_start: 0.9026 (tttm) cc_final: 0.8809 (tppt) REVERT: UB 13 ASP cc_start: 0.8973 (t0) cc_final: 0.8501 (t0) REVERT: UC 9 LYS cc_start: 0.9191 (tptm) cc_final: 0.8702 (tptm) REVERT: UC 12 LYS cc_start: 0.9062 (ttmt) cc_final: 0.8615 (mptt) REVERT: UD 21 ASN cc_start: 0.7039 (p0) cc_final: 0.6668 (p0) REVERT: UE 1 MET cc_start: 0.6898 (ttp) cc_final: 0.6553 (ttm) REVERT: UE 2 GLU cc_start: 0.8489 (tp30) cc_final: 0.8076 (tp30) REVERT: UF 12 LYS cc_start: 0.9315 (tttm) cc_final: 0.8861 (tppt) REVERT: UG 2 GLU cc_start: 0.8937 (tp30) cc_final: 0.8714 (tp30) REVERT: UG 9 LYS cc_start: 0.9181 (tptm) cc_final: 0.8834 (tptt) REVERT: UG 12 LYS cc_start: 0.9108 (ttmt) cc_final: 0.8831 (mptt) REVERT: UH 6 LYS cc_start: 0.9240 (ptmt) cc_final: 0.8844 (ptmt) REVERT: UI 1 MET cc_start: 0.6228 (tmm) cc_final: 0.5858 (tmm) REVERT: UJ 9 LYS cc_start: 0.9194 (tppt) cc_final: 0.8964 (ttmm) REVERT: UJ 12 LYS cc_start: 0.9047 (tttm) cc_final: 0.8571 (tppt) REVERT: UK 9 LYS cc_start: 0.9218 (tptt) cc_final: 0.8865 (tptt) REVERT: UL 21 ASN cc_start: 0.7722 (p0) cc_final: 0.7353 (p0) REVERT: UN 12 LYS cc_start: 0.9315 (tttm) cc_final: 0.8922 (tppt) REVERT: UO 2 GLU cc_start: 0.8890 (tp30) cc_final: 0.8673 (tp30) REVERT: UO 9 LYS cc_start: 0.9260 (tptm) cc_final: 0.8914 (tptp) REVERT: UO 13 ASP cc_start: 0.8650 (m-30) cc_final: 0.8220 (m-30) REVERT: UP 12 LYS cc_start: 0.9406 (tmmt) cc_final: 0.9038 (tmmt) REVERT: US 9 LYS cc_start: 0.9158 (tptt) cc_final: 0.8815 (tptm) REVERT: US 13 ASP cc_start: 0.8564 (m-30) cc_final: 0.7846 (m-30) REVERT: UT 6 LYS cc_start: 0.9219 (ptmt) cc_final: 0.8998 (ptpp) REVERT: UU 1 MET cc_start: 0.6368 (tmm) cc_final: 0.6068 (tmm) REVERT: UV 13 ASP cc_start: 0.8892 (t0) cc_final: 0.8528 (t0) outliers start: 781 outliers final: 368 residues processed: 6316 average time/residue: 1.2777 time to fit residues: 13909.3294 Evaluate side-chains 5722 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 421 poor density : 5301 time to evaluate : 14.286 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain B residue 11 PHE Chi-restraints excluded: chain C residue 2 GLU Chi-restraints excluded: chain C residue 4 VAL Chi-restraints excluded: chain G residue 4 VAL Chi-restraints excluded: chain L residue 15 LEU Chi-restraints excluded: chain O residue 4 VAL Chi-restraints excluded: chain R residue 11 PHE Chi-restraints excluded: chain R residue 12 LYS Chi-restraints excluded: chain S residue 2 GLU Chi-restraints excluded: chain T residue 14 LEU Chi-restraints excluded: chain Y residue 19 LEU Chi-restraints excluded: chain Z residue 22 ASN Chi-restraints excluded: chain 0 residue 4 VAL Chi-restraints excluded: chain 0 residue 19 LEU Chi-restraints excluded: chain 3 residue 11 PHE Chi-restraints excluded: chain 4 residue 2 GLU Chi-restraints excluded: chain 4 residue 4 VAL Chi-restraints excluded: chain 7 residue 22 ASN Chi-restraints excluded: chain 8 residue 4 VAL Chi-restraints excluded: chain b residue 11 PHE Chi-restraints excluded: chain d residue 15 LEU Chi-restraints excluded: chain e residue 15 LEU Chi-restraints excluded: chain f residue 22 ASN Chi-restraints excluded: chain k residue 2 GLU Chi-restraints excluded: chain m residue 4 VAL Chi-restraints excluded: chain o residue 2 GLU Chi-restraints excluded: chain s residue 4 VAL Chi-restraints excluded: chain v residue 11 PHE Chi-restraints excluded: chain w residue 4 VAL Chi-restraints excluded: chain z residue 15 LEU Chi-restraints excluded: chain AA residue 1 MET Chi-restraints excluded: chain AA residue 4 VAL Chi-restraints excluded: chain AE residue 4 VAL Chi-restraints excluded: chain AM residue 4 VAL Chi-restraints excluded: chain AO residue 19 LEU Chi-restraints excluded: chain AQ residue 4 VAL Chi-restraints excluded: chain AV residue 14 LEU Chi-restraints excluded: chain AW residue 18 PHE Chi-restraints excluded: chain AX residue 21 ASN Chi-restraints excluded: chain AZ residue 14 LEU Chi-restraints excluded: chain A0 residue 15 LEU Chi-restraints excluded: chain A2 residue 4 VAL Chi-restraints excluded: chain A4 residue 15 LEU Chi-restraints excluded: chain A5 residue 11 PHE Chi-restraints excluded: chain A6 residue 4 VAL Chi-restraints excluded: chain BA residue 4 VAL Chi-restraints excluded: chain BC residue 15 LEU Chi-restraints excluded: chain BD residue 11 PHE Chi-restraints excluded: chain BE residue 4 VAL Chi-restraints excluded: chain BF residue 14 LEU Chi-restraints excluded: chain BG residue 14 LEU Chi-restraints excluded: chain BH residue 11 PHE Chi-restraints excluded: chain BI residue 4 VAL Chi-restraints excluded: chain BJ residue 14 LEU Chi-restraints excluded: chain BK residue 15 LEU Chi-restraints excluded: chain BL residue 22 ASN Chi-restraints excluded: chain BN residue 12 LYS Chi-restraints excluded: chain BN residue 14 LEU Chi-restraints excluded: chain BR residue 14 LEU Chi-restraints excluded: chain BT residue 22 ASN Chi-restraints excluded: chain BU residue 4 VAL Chi-restraints excluded: chain BX residue 9 LYS Chi-restraints excluded: chain BY residue 2 GLU Chi-restraints excluded: chain BY residue 4 VAL Chi-restraints excluded: chain B0 residue 1 MET Chi-restraints excluded: chain B6 residue 1 MET Chi-restraints excluded: chain B6 residue 4 VAL Chi-restraints excluded: chain B9 residue 11 PHE Chi-restraints excluded: chain CA residue 4 VAL Chi-restraints excluded: chain CC residue 19 LEU Chi-restraints excluded: chain CE residue 4 VAL Chi-restraints excluded: chain CF residue 1 MET Chi-restraints excluded: chain CH residue 3 PHE Chi-restraints excluded: chain CI residue 4 VAL Chi-restraints excluded: chain CL residue 11 PHE Chi-restraints excluded: chain CL residue 22 ASN Chi-restraints excluded: chain CR residue 14 LEU Chi-restraints excluded: chain CR residue 19 LEU Chi-restraints excluded: chain CT residue 22 ASN Chi-restraints excluded: chain CU residue 1 MET Chi-restraints excluded: chain CX residue 22 ASN Chi-restraints excluded: chain CY residue 4 VAL Chi-restraints excluded: chain CZ residue 14 LEU Chi-restraints excluded: chain C1 residue 22 ASN Chi-restraints excluded: chain C4 residue 15 LEU Chi-restraints excluded: chain C5 residue 11 PHE Chi-restraints excluded: chain C6 residue 4 VAL Chi-restraints excluded: chain C9 residue 11 PHE Chi-restraints excluded: chain DA residue 14 LEU Chi-restraints excluded: chain DB residue 15 LEU Chi-restraints excluded: chain DE residue 4 VAL Chi-restraints excluded: chain DH residue 12 LYS Chi-restraints excluded: chain DI residue 4 VAL Chi-restraints excluded: chain DJ residue 14 LEU Chi-restraints excluded: chain DK residue 15 LEU Chi-restraints excluded: chain DL residue 11 PHE Chi-restraints excluded: chain DL residue 12 LYS Chi-restraints excluded: chain DN residue 14 LEU Chi-restraints excluded: chain DQ residue 4 VAL Chi-restraints excluded: chain DT residue 3 PHE Chi-restraints excluded: chain DT residue 11 PHE Chi-restraints excluded: chain DT residue 22 ASN Chi-restraints excluded: chain DU residue 4 VAL Chi-restraints excluded: chain DV residue 14 LEU Chi-restraints excluded: chain D1 residue 22 ASN Chi-restraints excluded: chain D5 residue 14 LEU Chi-restraints excluded: chain D5 residue 21 ASN Chi-restraints excluded: chain D6 residue 4 VAL Chi-restraints excluded: chain D7 residue 15 LEU Chi-restraints excluded: chain EA residue 4 VAL Chi-restraints excluded: chain ED residue 14 LEU Chi-restraints excluded: chain EF residue 14 LEU Chi-restraints excluded: chain EI residue 4 VAL Chi-restraints excluded: chain EL residue 11 PHE Chi-restraints excluded: chain EM residue 4 VAL Chi-restraints excluded: chain EN residue 19 LEU Chi-restraints excluded: chain EQ residue 1 MET Chi-restraints excluded: chain ER residue 14 LEU Chi-restraints excluded: chain ES residue 15 LEU Chi-restraints excluded: chain EU residue 14 LEU Chi-restraints excluded: chain EV residue 14 LEU Chi-restraints excluded: chain EW residue 19 LEU Chi-restraints excluded: chain EZ residue 14 LEU Chi-restraints excluded: chain E0 residue 19 LEU Chi-restraints excluded: chain E1 residue 11 PHE Chi-restraints excluded: chain E2 residue 4 VAL Chi-restraints excluded: chain E6 residue 4 VAL Chi-restraints excluded: chain E9 residue 11 PHE Chi-restraints excluded: chain FA residue 4 VAL Chi-restraints excluded: chain FC residue 1 MET Chi-restraints excluded: chain FD residue 11 PHE Chi-restraints excluded: chain FE residue 4 VAL Chi-restraints excluded: chain FH residue 11 PHE Chi-restraints excluded: chain FI residue 4 VAL Chi-restraints excluded: chain FK residue 15 LEU Chi-restraints excluded: chain FM residue 4 VAL Chi-restraints excluded: chain FM residue 13 ASP Chi-restraints excluded: chain FO residue 15 LEU Chi-restraints excluded: chain FP residue 3 PHE Chi-restraints excluded: chain FP residue 11 PHE Chi-restraints excluded: chain FQ residue 4 VAL Chi-restraints excluded: chain FS residue 15 LEU Chi-restraints excluded: chain FU residue 1 MET Chi-restraints excluded: chain FU residue 4 VAL Chi-restraints excluded: chain FW residue 15 LEU Chi-restraints excluded: chain FX residue 11 PHE Chi-restraints excluded: chain FY residue 4 VAL Chi-restraints excluded: chain F1 residue 11 PHE Chi-restraints excluded: chain F2 residue 1 MET Chi-restraints excluded: chain F4 residue 15 LEU Chi-restraints excluded: chain F7 residue 14 LEU Chi-restraints excluded: chain GA residue 1 MET Chi-restraints excluded: chain GE residue 4 VAL Chi-restraints excluded: chain GG residue 17 LYS Chi-restraints excluded: chain GH residue 21 ASN Chi-restraints excluded: chain GM residue 7 LEU Chi-restraints excluded: chain GN residue 14 LEU Chi-restraints excluded: chain GQ residue 4 VAL Chi-restraints excluded: chain GS residue 19 LEU Chi-restraints excluded: chain GT residue 11 PHE Chi-restraints excluded: chain GT residue 22 ASN Chi-restraints excluded: chain GU residue 4 VAL Chi-restraints excluded: chain GX residue 22 ASN Chi-restraints excluded: chain GY residue 4 VAL Chi-restraints excluded: chain G1 residue 3 PHE Chi-restraints excluded: chain G2 residue 1 MET Chi-restraints excluded: chain G2 residue 4 VAL Chi-restraints excluded: chain G3 residue 14 LEU Chi-restraints excluded: chain G6 residue 4 VAL Chi-restraints excluded: chain G9 residue 21 ASN Chi-restraints excluded: chain HA residue 4 VAL Chi-restraints excluded: chain HA residue 13 ASP Chi-restraints excluded: chain HE residue 1 MET Chi-restraints excluded: chain HE residue 4 VAL Chi-restraints excluded: chain HH residue 11 PHE Chi-restraints excluded: chain HI residue 4 VAL Chi-restraints excluded: chain HJ residue 14 LEU Chi-restraints excluded: chain HM residue 4 VAL Chi-restraints excluded: chain HO residue 15 LEU Chi-restraints excluded: chain HW residue 15 LEU Chi-restraints excluded: chain HX residue 11 PHE Chi-restraints excluded: chain H0 residue 15 LEU Chi-restraints excluded: chain H3 residue 19 LEU Chi-restraints excluded: chain H6 residue 4 VAL Chi-restraints excluded: chain H9 residue 11 PHE Chi-restraints excluded: chain H9 residue 21 ASN Chi-restraints excluded: chain IA residue 4 VAL Chi-restraints excluded: chain IC residue 18 PHE Chi-restraints excluded: chain ID residue 12 LYS Chi-restraints excluded: chain II residue 4 VAL Chi-restraints excluded: chain IK residue 4 VAL Chi-restraints excluded: chain IK residue 15 LEU Chi-restraints excluded: chain IM residue 4 VAL Chi-restraints excluded: chain IM residue 13 ASP Chi-restraints excluded: chain IN residue 14 LEU Chi-restraints excluded: chain IP residue 11 PHE Chi-restraints excluded: chain IP residue 14 LEU Chi-restraints excluded: chain IQ residue 4 VAL Chi-restraints excluded: chain IR residue 14 LEU Chi-restraints excluded: chain IU residue 4 VAL Chi-restraints excluded: chain IU residue 13 ASP Chi-restraints excluded: chain IV residue 14 LEU Chi-restraints excluded: chain IY residue 1 MET Chi-restraints excluded: chain I0 residue 15 LEU Chi-restraints excluded: chain I2 residue 4 VAL Chi-restraints excluded: chain I6 residue 4 VAL Chi-restraints excluded: chain I9 residue 22 ASN Chi-restraints excluded: chain JB residue 14 LEU Chi-restraints excluded: chain JD residue 22 ASN Chi-restraints excluded: chain JE residue 4 VAL Chi-restraints excluded: chain JF residue 14 LEU Chi-restraints excluded: chain JG residue 13 ASP Chi-restraints excluded: chain JG residue 15 LEU Chi-restraints excluded: chain JH residue 22 ASN Chi-restraints excluded: chain JI residue 4 VAL Chi-restraints excluded: chain JL residue 11 PHE Chi-restraints excluded: chain JO residue 15 LEU Chi-restraints excluded: chain JP residue 11 PHE Chi-restraints excluded: chain JQ residue 4 VAL Chi-restraints excluded: chain JT residue 11 PHE Chi-restraints excluded: chain JU residue 4 VAL Chi-restraints excluded: chain JU residue 13 ASP Chi-restraints excluded: chain JV residue 14 LEU Chi-restraints excluded: chain JX residue 12 LYS Chi-restraints excluded: chain JX residue 22 ASN Chi-restraints excluded: chain JY residue 4 VAL Chi-restraints excluded: chain J2 residue 4 VAL Chi-restraints excluded: chain J6 residue 4 VAL Chi-restraints excluded: chain J8 residue 19 LEU Chi-restraints excluded: chain KA residue 4 VAL Chi-restraints excluded: chain KC residue 15 LEU Chi-restraints excluded: chain KC residue 19 LEU Chi-restraints excluded: chain KE residue 4 VAL Chi-restraints excluded: chain KH residue 11 PHE Chi-restraints excluded: chain KI residue 4 VAL Chi-restraints excluded: chain KM residue 4 VAL Chi-restraints excluded: chain KO residue 15 LEU Chi-restraints excluded: chain KP residue 15 LEU Chi-restraints excluded: chain KQ residue 4 VAL Chi-restraints excluded: chain KR residue 14 LEU Chi-restraints excluded: chain KU residue 4 VAL Chi-restraints excluded: chain K4 residue 15 LEU Chi-restraints excluded: chain K6 residue 4 VAL Chi-restraints excluded: chain K9 residue 11 PHE Chi-restraints excluded: chain K9 residue 21 ASN Chi-restraints excluded: chain K9 residue 22 ASN Chi-restraints excluded: chain LA residue 4 VAL Chi-restraints excluded: chain LB residue 14 LEU Chi-restraints excluded: chain LD residue 14 LEU Chi-restraints excluded: chain LE residue 4 VAL Chi-restraints excluded: chain LM residue 4 VAL Chi-restraints excluded: chain LM residue 19 LEU Chi-restraints excluded: chain LO residue 15 LEU Chi-restraints excluded: chain LP residue 14 LEU Chi-restraints excluded: chain LQ residue 4 VAL Chi-restraints excluded: chain LU residue 4 VAL Chi-restraints excluded: chain LU residue 15 LEU Chi-restraints excluded: chain LZ residue 15 LEU Chi-restraints excluded: chain L0 residue 19 LEU Chi-restraints excluded: chain L2 residue 4 VAL Chi-restraints excluded: chain L6 residue 4 VAL Chi-restraints excluded: chain MA residue 1 MET Chi-restraints excluded: chain MA residue 4 VAL Chi-restraints excluded: chain MG residue 1 MET Chi-restraints excluded: chain MG residue 15 LEU Chi-restraints excluded: chain MI residue 4 VAL Chi-restraints excluded: chain MK residue 18 PHE Chi-restraints excluded: chain MQ residue 1 MET Chi-restraints excluded: chain MQ residue 4 VAL Chi-restraints excluded: chain MS residue 1 MET Chi-restraints excluded: chain MS residue 15 LEU Chi-restraints excluded: chain MU residue 4 VAL Chi-restraints excluded: chain MX residue 22 ASN Chi-restraints excluded: chain MY residue 4 VAL Chi-restraints excluded: chain M0 residue 1 MET Chi-restraints excluded: chain M0 residue 15 LEU Chi-restraints excluded: chain M1 residue 13 ASP Chi-restraints excluded: chain M2 residue 4 VAL Chi-restraints excluded: chain M6 residue 4 VAL Chi-restraints excluded: chain M6 residue 14 LEU Chi-restraints excluded: chain NA residue 4 VAL Chi-restraints excluded: chain NI residue 4 VAL Chi-restraints excluded: chain NL residue 11 PHE Chi-restraints excluded: chain NM residue 2 GLU Chi-restraints excluded: chain NM residue 4 VAL Chi-restraints excluded: chain NP residue 22 ASN Chi-restraints excluded: chain NQ residue 4 VAL Chi-restraints excluded: chain NS residue 15 LEU Chi-restraints excluded: chain NT residue 11 PHE Chi-restraints excluded: chain NU residue 4 VAL Chi-restraints excluded: chain NW residue 1 MET Chi-restraints excluded: chain NY residue 4 VAL Chi-restraints excluded: chain N1 residue 11 PHE Chi-restraints excluded: chain N2 residue 4 VAL Chi-restraints excluded: chain N3 residue 14 LEU Chi-restraints excluded: chain N3 residue 15 LEU Chi-restraints excluded: chain N4 residue 15 LEU Chi-restraints excluded: chain N6 residue 4 VAL Chi-restraints excluded: chain N9 residue 3 PHE Chi-restraints excluded: chain N9 residue 11 PHE Chi-restraints excluded: chain N9 residue 21 ASN Chi-restraints excluded: chain OA residue 4 VAL Chi-restraints excluded: chain OG residue 15 LEU Chi-restraints excluded: chain OH residue 12 LYS Chi-restraints excluded: chain OH residue 22 ASN Chi-restraints excluded: chain OI residue 4 VAL Chi-restraints excluded: chain OL residue 11 PHE Chi-restraints excluded: chain OM residue 4 VAL Chi-restraints excluded: chain OQ residue 4 VAL Chi-restraints excluded: chain OR residue 19 LEU Chi-restraints excluded: chain OT residue 14 LEU Chi-restraints excluded: chain OT residue 15 LEU Chi-restraints excluded: chain OU residue 4 VAL Chi-restraints excluded: chain OW residue 15 LEU Chi-restraints excluded: chain OW residue 19 LEU Chi-restraints excluded: chain OX residue 11 PHE Chi-restraints excluded: chain OY residue 4 VAL Chi-restraints excluded: chain O1 residue 22 ASN Chi-restraints excluded: chain O2 residue 4 VAL Chi-restraints excluded: chain O4 residue 1 MET Chi-restraints excluded: chain O8 residue 15 LEU Chi-restraints excluded: chain PA residue 4 VAL Chi-restraints excluded: chain PB residue 14 LEU Chi-restraints excluded: chain PD residue 11 PHE Chi-restraints excluded: chain PD residue 22 ASN Chi-restraints excluded: chain PE residue 4 VAL Chi-restraints excluded: chain PF residue 14 LEU Chi-restraints excluded: chain PI residue 4 VAL Chi-restraints excluded: chain PJ residue 14 LEU Chi-restraints excluded: chain PM residue 4 VAL Chi-restraints excluded: chain PO residue 15 LEU Chi-restraints excluded: chain PQ residue 4 VAL Chi-restraints excluded: chain PS residue 4 VAL Chi-restraints excluded: chain PS residue 19 LEU Chi-restraints excluded: chain PU residue 1 MET Chi-restraints excluded: chain PW residue 15 LEU Chi-restraints excluded: chain PY residue 4 VAL Chi-restraints excluded: chain P1 residue 15 LEU Chi-restraints excluded: chain P1 residue 22 ASN Chi-restraints excluded: chain P2 residue 4 VAL Chi-restraints excluded: chain P6 residue 4 VAL Chi-restraints excluded: chain P6 residue 13 ASP Chi-restraints excluded: chain QA residue 4 VAL Chi-restraints excluded: chain QB residue 14 LEU Chi-restraints excluded: chain QC residue 15 LEU Chi-restraints excluded: chain QE residue 4 VAL Chi-restraints excluded: chain QF residue 1 MET Chi-restraints excluded: chain QJ residue 14 LEU Chi-restraints excluded: chain QL residue 22 ASN Chi-restraints excluded: chain QP residue 15 LEU Chi-restraints excluded: chain QQ residue 4 VAL Chi-restraints excluded: chain QR residue 14 LEU Chi-restraints excluded: chain QS residue 19 LEU Chi-restraints excluded: chain QU residue 4 VAL Chi-restraints excluded: chain QV residue 14 LEU Chi-restraints excluded: chain QW residue 1 MET Chi-restraints excluded: chain QX residue 22 ASN Chi-restraints excluded: chain QY residue 4 VAL Chi-restraints excluded: chain Q0 residue 15 LEU Chi-restraints excluded: chain Q2 residue 4 VAL Chi-restraints excluded: chain Q4 residue 15 LEU Chi-restraints excluded: chain RA residue 4 VAL Chi-restraints excluded: chain RC residue 19 LEU Chi-restraints excluded: chain RH residue 11 PHE Chi-restraints excluded: chain RI residue 4 VAL Chi-restraints excluded: chain RJ residue 14 LEU Chi-restraints excluded: chain RK residue 15 LEU Chi-restraints excluded: chain RQ residue 13 ASP Chi-restraints excluded: chain RU residue 4 VAL Chi-restraints excluded: chain RW residue 1 MET Chi-restraints excluded: chain RW residue 15 LEU Chi-restraints excluded: chain RY residue 4 VAL Chi-restraints excluded: chain R2 residue 4 VAL Chi-restraints excluded: chain R2 residue 14 LEU Chi-restraints excluded: chain R4 residue 15 LEU Chi-restraints excluded: chain R5 residue 11 PHE Chi-restraints excluded: chain R6 residue 4 VAL Chi-restraints excluded: chain SE residue 1 MET Chi-restraints excluded: chain SE residue 4 VAL Chi-restraints excluded: chain SF residue 14 LEU Chi-restraints excluded: chain SI residue 13 ASP Chi-restraints excluded: chain SM residue 4 VAL Chi-restraints excluded: chain SO residue 15 LEU Chi-restraints excluded: chain SQ residue 4 VAL Chi-restraints excluded: chain SQ residue 13 ASP Chi-restraints excluded: chain SS residue 19 LEU Chi-restraints excluded: chain ST residue 11 PHE Chi-restraints excluded: chain SX residue 13 ASP Chi-restraints excluded: chain SY residue 4 VAL Chi-restraints excluded: chain S1 residue 3 PHE Chi-restraints excluded: chain S2 residue 4 VAL Chi-restraints excluded: chain S4 residue 15 LEU Chi-restraints excluded: chain S6 residue 18 PHE Chi-restraints excluded: chain S8 residue 15 LEU Chi-restraints excluded: chain S9 residue 6 LYS Chi-restraints excluded: chain TA residue 4 VAL Chi-restraints excluded: chain TD residue 11 PHE Chi-restraints excluded: chain TE residue 4 VAL Chi-restraints excluded: chain TM residue 4 VAL Chi-restraints excluded: chain TQ residue 4 VAL Chi-restraints excluded: chain TR residue 14 LEU Chi-restraints excluded: chain TT residue 22 ASN Chi-restraints excluded: chain TU residue 4 VAL Chi-restraints excluded: chain TV residue 14 LEU Chi-restraints excluded: chain TW residue 1 MET Chi-restraints excluded: chain TX residue 9 LYS Chi-restraints excluded: chain TX residue 11 PHE Chi-restraints excluded: chain TX residue 22 ASN Chi-restraints excluded: chain TY residue 4 VAL Chi-restraints excluded: chain TZ residue 14 LEU Chi-restraints excluded: chain T5 residue 11 PHE Chi-restraints excluded: chain T9 residue 22 ASN Chi-restraints excluded: chain UA residue 4 VAL Chi-restraints excluded: chain UB residue 11 PHE Chi-restraints excluded: chain UH residue 11 PHE Chi-restraints excluded: chain UH residue 22 ASN Chi-restraints excluded: chain UI residue 4 VAL Chi-restraints excluded: chain UJ residue 15 LEU Chi-restraints excluded: chain UP residue 11 PHE Chi-restraints excluded: chain UQ residue 4 VAL Chi-restraints excluded: chain UU residue 4 VAL Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1608 random chunks: chunk 1294 optimal weight: 1.9990 chunk 882 optimal weight: 9.9990 chunk 22 optimal weight: 7.9990 chunk 1157 optimal weight: 9.9990 chunk 641 optimal weight: 6.9990 chunk 1326 optimal weight: 10.0000 chunk 1074 optimal weight: 9.9990 chunk 1 optimal weight: 10.0000 chunk 793 optimal weight: 2.9990 chunk 1395 optimal weight: 0.0060 chunk 392 optimal weight: 8.9990 overall best weight: 4.0004 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** E 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CT 22 ASN ** C0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1 22 ASN ** C8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ES 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** GT 22 ASN ** HO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ID 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** JD 22 ASN JH 22 ASN ** JK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** KP 22 ASN ** K8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ML 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O1 22 ASN ** PS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q9 22 ASN ** RD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SD 22 ASN ** SG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** TT 22 ASN ** T8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8536 moved from start: 0.3803 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.038 146328 Z= 0.218 Angle : 0.672 16.707 191955 Z= 0.307 Chirality : 0.034 0.182 19497 Planarity : 0.002 0.017 22914 Dihedral : 3.721 15.147 16281 Min Nonbonded Distance : 2.244 Molprobity Statistics. All-atom Clashscore : 10.35 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.51 % Favored : 96.49 % Rotamer: Outliers : 5.38 % Allowed : 28.85 % Favored : 65.77 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.73 (0.07), residues: 15477 helix: 0.84 (0.04), residues: 14472 sheet: None (None), residues: 0 loop : -3.79 (0.05), residues: 1005 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.033 0.001 PHER9 18 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6276 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 790 poor density : 5486 time to evaluate : 13.501 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 6 LYS cc_start: 0.9044 (ttmm) cc_final: 0.8184 (tmtt) REVERT: A 9 LYS cc_start: 0.9306 (tptm) cc_final: 0.8769 (tptp) REVERT: A 13 ASP cc_start: 0.8787 (m-30) cc_final: 0.8213 (m-30) REVERT: A 17 LYS cc_start: 0.9288 (mtpp) cc_final: 0.8656 (pptt) REVERT: B 6 LYS cc_start: 0.9026 (ptmt) cc_final: 0.8672 (pttp) REVERT: C 2 GLU cc_start: 0.7768 (OUTLIER) cc_final: 0.6837 (tm-30) REVERT: D 1 MET cc_start: 0.7110 (ptt) cc_final: 0.4235 (mmt) REVERT: D 15 LEU cc_start: 0.9584 (tp) cc_final: 0.9372 (tp) REVERT: E 6 LYS cc_start: 0.9004 (ttmm) cc_final: 0.8044 (tmtt) REVERT: E 9 LYS cc_start: 0.9139 (tptt) cc_final: 0.8692 (tptp) REVERT: E 13 ASP cc_start: 0.8828 (m-30) cc_final: 0.7634 (m-30) REVERT: E 17 LYS cc_start: 0.9352 (mtpp) cc_final: 0.8704 (pttt) REVERT: F 6 LYS cc_start: 0.8997 (ptmt) cc_final: 0.8449 (pptt) REVERT: F 12 LYS cc_start: 0.9266 (tmmt) cc_final: 0.8905 (tmmt) REVERT: F 15 LEU cc_start: 0.8844 (OUTLIER) cc_final: 0.8537 (tp) REVERT: I 6 LYS cc_start: 0.8985 (ttmm) cc_final: 0.8199 (tmtt) REVERT: I 9 LYS cc_start: 0.9189 (tptt) cc_final: 0.8838 (tptp) REVERT: I 13 ASP cc_start: 0.8853 (m-30) cc_final: 0.8337 (m-30) REVERT: I 17 LYS cc_start: 0.9254 (mtpp) cc_final: 0.8728 (pttt) REVERT: J 1 MET cc_start: 0.7399 (mtm) cc_final: 0.7138 (mtm) REVERT: J 6 LYS cc_start: 0.8776 (ptmt) cc_final: 0.8321 (pttp) REVERT: J 11 PHE cc_start: 0.8759 (m-80) cc_final: 0.8490 (m-10) REVERT: J 13 ASP cc_start: 0.8776 (t0) cc_final: 0.8545 (t0) REVERT: J 17 LYS cc_start: 0.8878 (ttmm) cc_final: 0.7771 (tmtt) REVERT: K 17 LYS cc_start: 0.8995 (mttt) cc_final: 0.8139 (tttt) REVERT: M 1 MET cc_start: 0.7821 (pmm) cc_final: 0.7281 (pmm) REVERT: M 6 LYS cc_start: 0.9072 (ttmm) cc_final: 0.8117 (tmtt) REVERT: M 17 LYS cc_start: 0.9306 (mtpp) cc_final: 0.8834 (pttt) REVERT: N 6 LYS cc_start: 0.9011 (ptmt) cc_final: 0.8488 (pttp) REVERT: N 12 LYS cc_start: 0.9309 (tmmt) cc_final: 0.8954 (tmmt) REVERT: P 1 MET cc_start: 0.7288 (ptt) cc_final: 0.4949 (mmt) REVERT: Q 6 LYS cc_start: 0.9019 (ttmm) cc_final: 0.7982 (tmtt) REVERT: Q 9 LYS cc_start: 0.9215 (tptt) cc_final: 0.8948 (tptm) REVERT: Q 13 ASP cc_start: 0.8704 (m-30) cc_final: 0.7916 (m-30) REVERT: Q 17 LYS cc_start: 0.9196 (mtpp) cc_final: 0.8687 (pttt) REVERT: R 6 LYS cc_start: 0.9090 (ptmt) cc_final: 0.8678 (pttp) REVERT: T 1 MET cc_start: 0.7339 (ptt) cc_final: 0.5111 (mmt) REVERT: T 12 LYS cc_start: 0.9283 (tttm) cc_final: 0.8960 (tppt) REVERT: U 6 LYS cc_start: 0.8952 (ttmm) cc_final: 0.8000 (tmtt) REVERT: U 9 LYS cc_start: 0.9258 (tptm) cc_final: 0.8792 (tptt) REVERT: U 17 LYS cc_start: 0.9208 (mtpp) cc_final: 0.8769 (pttt) REVERT: V 6 LYS cc_start: 0.9100 (ptmt) cc_final: 0.8700 (pttp) REVERT: W 1 MET cc_start: 0.7340 (tmm) cc_final: 0.6903 (tmm) REVERT: W 17 LYS cc_start: 0.8926 (mttt) cc_final: 0.8183 (tmtt) REVERT: Y 6 LYS cc_start: 0.8992 (ttmm) cc_final: 0.8196 (tmtt) REVERT: Y 9 LYS cc_start: 0.9164 (tptt) cc_final: 0.8613 (tptp) REVERT: Y 13 ASP cc_start: 0.8829 (m-30) cc_final: 0.7554 (m-30) REVERT: Y 17 LYS cc_start: 0.9358 (mtpp) cc_final: 0.8749 (pttp) REVERT: Y 19 LEU cc_start: 0.8547 (OUTLIER) cc_final: 0.8139 (tt) REVERT: Z 1 MET cc_start: 0.7745 (mtm) cc_final: 0.7394 (mtm) REVERT: Z 6 LYS cc_start: 0.8803 (ptmt) cc_final: 0.8226 (pptt) REVERT: 0 17 LYS cc_start: 0.8905 (mttt) cc_final: 0.7929 (tmtt) REVERT: 1 12 LYS cc_start: 0.9269 (tttm) cc_final: 0.8932 (tppt) REVERT: 2 6 LYS cc_start: 0.9039 (ttmm) cc_final: 0.8010 (tmtt) REVERT: 2 9 LYS cc_start: 0.9079 (tptp) cc_final: 0.8873 (tptp) REVERT: 2 13 ASP cc_start: 0.8606 (m-30) cc_final: 0.8199 (m-30) REVERT: 2 17 LYS cc_start: 0.9227 (mtpp) cc_final: 0.8742 (pttt) REVERT: 3 6 LYS cc_start: 0.8965 (ptmt) cc_final: 0.8656 (ptmm) REVERT: 5 1 MET cc_start: 0.6700 (ptt) cc_final: 0.4462 (mmt) REVERT: 6 1 MET cc_start: 0.7722 (pmm) cc_final: 0.7273 (pmm) REVERT: 6 6 LYS cc_start: 0.8907 (ttmm) cc_final: 0.8151 (tmtt) REVERT: 6 17 LYS cc_start: 0.9288 (mtpp) cc_final: 0.8921 (pttt) REVERT: 6 19 LEU cc_start: 0.8224 (OUTLIER) cc_final: 0.7956 (tt) REVERT: 7 6 LYS cc_start: 0.9011 (ptmt) cc_final: 0.8647 (pttp) REVERT: 8 17 LYS cc_start: 0.9057 (mttt) cc_final: 0.8180 (tmtt) REVERT: a 6 LYS cc_start: 0.8960 (ttmm) cc_final: 0.8087 (tmtt) REVERT: a 9 LYS cc_start: 0.9263 (tptm) cc_final: 0.8745 (tptp) REVERT: a 13 ASP cc_start: 0.8680 (m-30) cc_final: 0.8160 (m-30) REVERT: a 17 LYS cc_start: 0.9229 (mtpp) cc_final: 0.8693 (pptt) REVERT: b 1 MET cc_start: 0.7223 (mtm) cc_final: 0.6946 (mtm) REVERT: b 6 LYS cc_start: 0.8684 (ptmt) cc_final: 0.8275 (ptmm) REVERT: b 12 LYS cc_start: 0.9393 (tmmt) cc_final: 0.9187 (tmmt) REVERT: c 17 LYS cc_start: 0.9105 (mttt) cc_final: 0.8102 (tmtt) REVERT: d 1 MET cc_start: 0.7498 (ptp) cc_final: 0.5576 (mmt) REVERT: e 6 LYS cc_start: 0.8902 (ttmm) cc_final: 0.8052 (tmtt) REVERT: e 17 LYS cc_start: 0.9322 (mtpp) cc_final: 0.8820 (pttt) REVERT: f 6 LYS cc_start: 0.8779 (ptmt) cc_final: 0.8423 (pttp) REVERT: f 21 ASN cc_start: 0.7812 (p0) cc_final: 0.7570 (p0) REVERT: h 1 MET cc_start: 0.6491 (ptt) cc_final: 0.5207 (mmt) REVERT: i 6 LYS cc_start: 0.8957 (ttmm) cc_final: 0.8208 (tmtt) REVERT: i 9 LYS cc_start: 0.9178 (tptm) cc_final: 0.8767 (tptt) REVERT: i 13 ASP cc_start: 0.8816 (m-30) cc_final: 0.8244 (m-30) REVERT: i 17 LYS cc_start: 0.9350 (mtpp) cc_final: 0.8751 (pptt) REVERT: j 6 LYS cc_start: 0.9013 (ptmt) cc_final: 0.8502 (pptt) REVERT: j 12 LYS cc_start: 0.9293 (tmmt) cc_final: 0.9004 (tmmt) REVERT: k 2 GLU cc_start: 0.7825 (OUTLIER) cc_final: 0.6908 (tm-30) REVERT: k 17 LYS cc_start: 0.9042 (mttt) cc_final: 0.8173 (tmtt) REVERT: l 12 LYS cc_start: 0.9255 (ttpt) cc_final: 0.8527 (tptp) REVERT: m 6 LYS cc_start: 0.8998 (ttmm) cc_final: 0.8086 (tmtt) REVERT: m 9 LYS cc_start: 0.9339 (tptt) cc_final: 0.8993 (tptt) REVERT: m 17 LYS cc_start: 0.9227 (mtpp) cc_final: 0.8799 (pttt) REVERT: n 1 MET cc_start: 0.7177 (mtm) cc_final: 0.6938 (mtp) REVERT: n 6 LYS cc_start: 0.8845 (ptmt) cc_final: 0.8366 (tmtt) REVERT: n 17 LYS cc_start: 0.8937 (ttmm) cc_final: 0.8033 (tmtt) REVERT: o 1 MET cc_start: 0.7294 (tmm) cc_final: 0.6844 (tmm) REVERT: p 1 MET cc_start: 0.7757 (ptm) cc_final: 0.5024 (mmt) REVERT: q 9 LYS cc_start: 0.9123 (tptt) cc_final: 0.8679 (tptp) REVERT: q 13 ASP cc_start: 0.8795 (m-30) cc_final: 0.7448 (m-30) REVERT: r 6 LYS cc_start: 0.9203 (ptpt) cc_final: 0.8947 (ptpp) REVERT: r 12 LYS cc_start: 0.9391 (tmmt) cc_final: 0.9094 (tmmt) REVERT: t 1 MET cc_start: 0.7308 (ptt) cc_final: 0.6981 (ptm) REVERT: t 2 GLU cc_start: 0.8329 (pm20) cc_final: 0.8099 (pm20) REVERT: t 12 LYS cc_start: 0.9315 (ttpt) cc_final: 0.8642 (tptp) REVERT: u 2 GLU cc_start: 0.9000 (tp30) cc_final: 0.8418 (tp30) REVERT: u 6 LYS cc_start: 0.9356 (mmtt) cc_final: 0.8794 (mmtp) REVERT: u 9 LYS cc_start: 0.9221 (tptm) cc_final: 0.8905 (tptm) REVERT: v 1 MET cc_start: 0.7271 (mtm) cc_final: 0.7008 (mtm) REVERT: v 6 LYS cc_start: 0.9253 (ptmt) cc_final: 0.8941 (ptpp) REVERT: v 13 ASP cc_start: 0.8771 (t0) cc_final: 0.8474 (t70) REVERT: v 21 ASN cc_start: 0.7461 (p0) cc_final: 0.7172 (p0) REVERT: y 2 GLU cc_start: 0.8918 (tp30) cc_final: 0.8523 (tp30) REVERT: y 9 LYS cc_start: 0.9195 (tptm) cc_final: 0.8792 (tptm) REVERT: y 13 ASP cc_start: 0.8705 (m-30) cc_final: 0.8263 (m-30) REVERT: z 6 LYS cc_start: 0.9353 (ptmt) cc_final: 0.9055 (ptpp) REVERT: z 15 LEU cc_start: 0.8906 (OUTLIER) cc_final: 0.8677 (tt) REVERT: AC 9 LYS cc_start: 0.9226 (tptm) cc_final: 0.8753 (tppt) REVERT: AC 13 ASP cc_start: 0.8845 (OUTLIER) cc_final: 0.8506 (m-30) REVERT: AE 13 ASP cc_start: 0.8083 (p0) cc_final: 0.7768 (p0) REVERT: AG 1 MET cc_start: 0.7623 (pmm) cc_final: 0.7193 (pmm) REVERT: AH 6 LYS cc_start: 0.9335 (ptmt) cc_final: 0.8920 (ptmt) REVERT: AJ 2 GLU cc_start: 0.8500 (pm20) cc_final: 0.8254 (pm20) REVERT: AJ 13 ASP cc_start: 0.8964 (t0) cc_final: 0.8404 (t0) REVERT: AK 1 MET cc_start: 0.7566 (pmm) cc_final: 0.6330 (pmm) REVERT: AK 2 GLU cc_start: 0.9027 (tp30) cc_final: 0.8654 (tp30) REVERT: AK 6 LYS cc_start: 0.9348 (mmtt) cc_final: 0.9119 (mmtt) REVERT: AK 13 ASP cc_start: 0.8685 (m-30) cc_final: 0.8139 (m-30) REVERT: AN 1 MET cc_start: 0.7995 (ptm) cc_final: 0.7780 (ptm) REVERT: AO 1 MET cc_start: 0.7644 (pmm) cc_final: 0.7333 (pmm) REVERT: AO 17 LYS cc_start: 0.9093 (mtpt) cc_final: 0.8560 (mtpt) REVERT: AP 1 MET cc_start: 0.7592 (mtm) cc_final: 0.7288 (mtp) REVERT: AP 6 LYS cc_start: 0.9307 (ptpt) cc_final: 0.8995 (ptpp) REVERT: AR 13 ASP cc_start: 0.8975 (t0) cc_final: 0.8437 (t70) REVERT: AS 9 LYS cc_start: 0.9157 (tptt) cc_final: 0.8726 (tptm) REVERT: AS 13 ASP cc_start: 0.8589 (m-30) cc_final: 0.7903 (m-30) REVERT: AT 6 LYS cc_start: 0.9290 (ptmt) cc_final: 0.9025 (ptpp) REVERT: AW 2 GLU cc_start: 0.8860 (tp30) cc_final: 0.8275 (tp30) REVERT: AW 6 LYS cc_start: 0.9338 (mttm) cc_final: 0.8948 (mttm) REVERT: AW 9 LYS cc_start: 0.9251 (tptm) cc_final: 0.8455 (tptt) REVERT: AW 13 ASP cc_start: 0.8678 (m-30) cc_final: 0.7778 (m-30) REVERT: AW 19 LEU cc_start: 0.8320 (OUTLIER) cc_final: 0.8098 (tt) REVERT: AX 6 LYS cc_start: 0.9293 (ptmt) cc_final: 0.9022 (ptpp) REVERT: AX 12 LYS cc_start: 0.9254 (tmmt) cc_final: 0.9032 (tmmt) REVERT: AX 21 ASN cc_start: 0.7268 (OUTLIER) cc_final: 0.6862 (p0) REVERT: A0 13 ASP cc_start: 0.8629 (m-30) cc_final: 0.8103 (m-30) REVERT: A0 15 LEU cc_start: 0.8319 (OUTLIER) cc_final: 0.8029 (tp) REVERT: A0 19 LEU cc_start: 0.8143 (OUTLIER) cc_final: 0.7940 (tt) REVERT: A1 21 ASN cc_start: 0.7591 (p0) cc_final: 0.7293 (p0) REVERT: A4 2 GLU cc_start: 0.8800 (tp30) cc_final: 0.8428 (tp30) REVERT: A4 9 LYS cc_start: 0.9126 (tptt) cc_final: 0.8551 (tptp) REVERT: A4 13 ASP cc_start: 0.8659 (m-30) cc_final: 0.7780 (m-30) REVERT: A5 6 LYS cc_start: 0.9190 (ptmt) cc_final: 0.8913 (ptpp) REVERT: A5 13 ASP cc_start: 0.8826 (t0) cc_final: 0.8600 (t0) REVERT: A7 1 MET cc_start: 0.7658 (ptm) cc_final: 0.7431 (ptm) REVERT: A8 9 LYS cc_start: 0.9163 (tptt) cc_final: 0.8578 (tptm) REVERT: A8 13 ASP cc_start: 0.8852 (m-30) cc_final: 0.7731 (m-30) REVERT: A9 6 LYS cc_start: 0.9380 (ptmt) cc_final: 0.8976 (ptpp) REVERT: BB 6 LYS cc_start: 0.9185 (ttmm) cc_final: 0.8864 (mtmm) REVERT: BC 6 LYS cc_start: 0.9248 (mmtm) cc_final: 0.9015 (mmtp) REVERT: BC 9 LYS cc_start: 0.9254 (tptt) cc_final: 0.8725 (tptm) REVERT: BC 13 ASP cc_start: 0.8669 (m-30) cc_final: 0.7835 (m-30) REVERT: BD 11 PHE cc_start: 0.9004 (OUTLIER) cc_final: 0.8780 (m-10) REVERT: BF 12 LYS cc_start: 0.9215 (ttpt) cc_final: 0.8614 (tppt) REVERT: BG 13 ASP cc_start: 0.8605 (m-30) cc_final: 0.8223 (m-30) REVERT: BH 13 ASP cc_start: 0.8696 (t70) cc_final: 0.8434 (t0) REVERT: BJ 12 LYS cc_start: 0.9279 (ttpt) cc_final: 0.8868 (tppt) REVERT: BK 2 GLU cc_start: 0.8785 (tp30) cc_final: 0.8492 (tp30) REVERT: BK 9 LYS cc_start: 0.9117 (tptt) cc_final: 0.8669 (tptm) REVERT: BK 13 ASP cc_start: 0.8564 (m-30) cc_final: 0.7666 (m-30) REVERT: BO 9 LYS cc_start: 0.9316 (tptm) cc_final: 0.8920 (tptt) REVERT: BO 13 ASP cc_start: 0.8860 (m-30) cc_final: 0.8389 (m-30) REVERT: BP 13 ASP cc_start: 0.8595 (t70) cc_final: 0.8369 (t0) REVERT: BR 12 LYS cc_start: 0.9233 (ttpt) cc_final: 0.8908 (tppt) REVERT: BS 9 LYS cc_start: 0.9189 (tppp) cc_final: 0.8712 (tptt) REVERT: BT 6 LYS cc_start: 0.9348 (ptmt) cc_final: 0.9018 (ptpp) REVERT: BW 9 LYS cc_start: 0.9152 (tptt) cc_final: 0.8735 (tptt) REVERT: BX 6 LYS cc_start: 0.9320 (ptpt) cc_final: 0.9084 (ptpp) REVERT: BX 9 LYS cc_start: 0.9362 (OUTLIER) cc_final: 0.9063 (ttpt) REVERT: BX 12 LYS cc_start: 0.9348 (tmmt) cc_final: 0.9051 (tmmt) REVERT: BY 1 MET cc_start: 0.6975 (tmm) cc_final: 0.6521 (tmm) REVERT: B0 1 MET cc_start: 0.7253 (pmm) cc_final: 0.6772 (ptp) REVERT: B0 2 GLU cc_start: 0.8926 (tp30) cc_final: 0.8338 (tp30) REVERT: B0 6 LYS cc_start: 0.9250 (mttm) cc_final: 0.8771 (mmtp) REVERT: B0 9 LYS cc_start: 0.9273 (tptt) cc_final: 0.8739 (tptp) REVERT: B0 13 ASP cc_start: 0.8721 (m-30) cc_final: 0.7980 (m-30) REVERT: B0 17 LYS cc_start: 0.9077 (mtpp) cc_final: 0.8628 (mtpt) REVERT: B1 21 ASN cc_start: 0.7427 (p0) cc_final: 0.7102 (p0) REVERT: B4 1 MET cc_start: 0.7608 (pmm) cc_final: 0.7246 (ptp) REVERT: B4 2 GLU cc_start: 0.8670 (tp30) cc_final: 0.7869 (tp30) REVERT: B4 13 ASP cc_start: 0.8713 (m-30) cc_final: 0.8392 (m-30) REVERT: CC 6 LYS cc_start: 0.9338 (mmtm) cc_final: 0.9067 (mmtm) REVERT: CC 9 LYS cc_start: 0.9239 (tptm) cc_final: 0.8953 (tptm) REVERT: CC 13 ASP cc_start: 0.8594 (m-30) cc_final: 0.8139 (m-30) REVERT: CC 19 LEU cc_start: 0.8154 (OUTLIER) cc_final: 0.7867 (tt) REVERT: CD 6 LYS cc_start: 0.9227 (ptmt) cc_final: 0.8977 (ptpp) REVERT: CD 13 ASP cc_start: 0.8808 (t0) cc_final: 0.8569 (t70) REVERT: CG 2 GLU cc_start: 0.8834 (tp30) cc_final: 0.8149 (tp30) REVERT: CG 6 LYS cc_start: 0.9373 (mmtt) cc_final: 0.9007 (mmtt) REVERT: CG 9 LYS cc_start: 0.9103 (tptt) cc_final: 0.8684 (tptm) REVERT: CG 13 ASP cc_start: 0.8777 (m-30) cc_final: 0.8108 (m-30) REVERT: CH 1 MET cc_start: 0.7074 (mtm) cc_final: 0.6730 (mtm) REVERT: CH 12 LYS cc_start: 0.9340 (tmmt) cc_final: 0.9026 (tmmt) REVERT: CK 9 LYS cc_start: 0.9245 (tptm) cc_final: 0.8891 (tptm) REVERT: CK 13 ASP cc_start: 0.8690 (m-30) cc_final: 0.8409 (m-30) REVERT: CL 1 MET cc_start: 0.7323 (mtm) cc_final: 0.7008 (mtm) REVERT: CL 12 LYS cc_start: 0.9304 (tmmt) cc_final: 0.8956 (tmmt) REVERT: CM 13 ASP cc_start: 0.8839 (t0) cc_final: 0.8573 (p0) REVERT: CO 9 LYS cc_start: 0.9226 (tptt) cc_final: 0.8864 (tptp) REVERT: CO 13 ASP cc_start: 0.8740 (m-30) cc_final: 0.8043 (m-30) REVERT: CP 6 LYS cc_start: 0.9215 (ptpt) cc_final: 0.8879 (ptpp) REVERT: CR 12 LYS cc_start: 0.9242 (tttt) cc_final: 0.8868 (tppt) REVERT: CS 2 GLU cc_start: 0.8833 (tp30) cc_final: 0.8218 (tp30) REVERT: CS 6 LYS cc_start: 0.9392 (mmtm) cc_final: 0.8914 (mmtt) REVERT: CS 9 LYS cc_start: 0.9281 (tptt) cc_final: 0.9076 (tptm) REVERT: CT 21 ASN cc_start: 0.7599 (p0) cc_final: 0.7281 (p0) REVERT: CW 9 LYS cc_start: 0.9224 (tptm) cc_final: 0.8837 (tptt) REVERT: CX 6 LYS cc_start: 0.9291 (ptmt) cc_final: 0.8942 (ptpp) REVERT: CX 12 LYS cc_start: 0.9243 (tmmt) cc_final: 0.9023 (tmmt) REVERT: CZ 12 LYS cc_start: 0.9334 (ttpt) cc_final: 0.8880 (tppt) REVERT: C0 2 GLU cc_start: 0.8823 (tp30) cc_final: 0.8425 (tp30) REVERT: C0 6 LYS cc_start: 0.9308 (mttm) cc_final: 0.9082 (mttm) REVERT: C0 9 LYS cc_start: 0.9203 (tptt) cc_final: 0.8516 (tptp) REVERT: C0 13 ASP cc_start: 0.8748 (m-30) cc_final: 0.7239 (m-30) REVERT: C2 1 MET cc_start: 0.7877 (tmm) cc_final: 0.6518 (mtm) REVERT: C4 9 LYS cc_start: 0.9270 (tptm) cc_final: 0.8820 (tptt) REVERT: C5 6 LYS cc_start: 0.9288 (ptpt) cc_final: 0.8832 (ptpp) REVERT: C5 12 LYS cc_start: 0.9316 (tmmt) cc_final: 0.9032 (tmmt) REVERT: C7 11 PHE cc_start: 0.9175 (m-10) cc_final: 0.8912 (m-80) REVERT: C7 13 ASP cc_start: 0.8882 (t0) cc_final: 0.8449 (t0) REVERT: C8 9 LYS cc_start: 0.9162 (tptm) cc_final: 0.8690 (tptt) REVERT: C8 13 ASP cc_start: 0.8771 (m-30) cc_final: 0.7924 (m-30) REVERT: C9 12 LYS cc_start: 0.9220 (tmmt) cc_final: 0.8959 (tmmt) REVERT: C9 21 ASN cc_start: 0.7587 (p0) cc_final: 0.7205 (p0) REVERT: DA 1 MET cc_start: 0.7636 (tmm) cc_final: 0.7390 (tmm) REVERT: DB 1 MET cc_start: 0.7634 (ptt) cc_final: 0.7412 (ptp) REVERT: DB 2 GLU cc_start: 0.8374 (pm20) cc_final: 0.8013 (pm20) REVERT: DC 2 GLU cc_start: 0.8558 (tp30) cc_final: 0.8235 (tp30) REVERT: DC 6 LYS cc_start: 0.9008 (mmtm) cc_final: 0.8745 (mmtm) REVERT: DC 9 LYS cc_start: 0.9201 (tptt) cc_final: 0.8791 (tptp) REVERT: DC 13 ASP cc_start: 0.8755 (m-30) cc_final: 0.8135 (m-30) REVERT: DD 6 LYS cc_start: 0.9321 (ptmt) cc_final: 0.9032 (ptpp) REVERT: DD 13 ASP cc_start: 0.8721 (t0) cc_final: 0.8487 (t0) REVERT: DE 1 MET cc_start: 0.7404 (tmm) cc_final: 0.7066 (tmm) REVERT: DF 15 LEU cc_start: 0.9625 (tp) cc_final: 0.9228 (tp) REVERT: DG 9 LYS cc_start: 0.9213 (tptt) cc_final: 0.8864 (tptt) REVERT: DK 1 MET cc_start: 0.7840 (pmm) cc_final: 0.7553 (pmm) REVERT: DK 2 GLU cc_start: 0.8766 (tp30) cc_final: 0.8384 (tp30) REVERT: DL 1 MET cc_start: 0.7234 (mtm) cc_final: 0.6770 (mtm) REVERT: DN 1 MET cc_start: 0.7241 (ptt) cc_final: 0.6723 (ptm) REVERT: DN 2 GLU cc_start: 0.8409 (pm20) cc_final: 0.8192 (pm20) REVERT: DO 9 LYS cc_start: 0.9227 (tptm) cc_final: 0.8666 (tptm) REVERT: DO 13 ASP cc_start: 0.8557 (m-30) cc_final: 0.7463 (m-30) REVERT: DP 6 LYS cc_start: 0.9375 (ptmt) cc_final: 0.9084 (ptpp) REVERT: DP 12 LYS cc_start: 0.9286 (tmmt) cc_final: 0.8903 (tmmt) REVERT: DQ 1 MET cc_start: 0.7221 (ttp) cc_final: 0.6462 (tmm) REVERT: DR 1 MET cc_start: 0.6879 (ptt) cc_final: 0.6671 (ptm) REVERT: DR 12 LYS cc_start: 0.9298 (ttpt) cc_final: 0.8801 (tptp) REVERT: DS 2 GLU cc_start: 0.8818 (tp30) cc_final: 0.8121 (tp30) REVERT: DS 6 LYS cc_start: 0.9164 (mttm) cc_final: 0.8811 (mmtp) REVERT: DS 9 LYS cc_start: 0.9085 (tptt) cc_final: 0.8445 (tptp) REVERT: DS 13 ASP cc_start: 0.8607 (m-30) cc_final: 0.7422 (m-30) REVERT: DV 2 GLU cc_start: 0.8245 (pm20) cc_final: 0.7990 (pm20) REVERT: DW 9 LYS cc_start: 0.9103 (tptm) cc_final: 0.8630 (tptp) REVERT: DX 1 MET cc_start: 0.7212 (mtm) cc_final: 0.7006 (mtm) REVERT: DX 6 LYS cc_start: 0.9267 (ptpt) cc_final: 0.8908 (ptpp) REVERT: DX 13 ASP cc_start: 0.8792 (t0) cc_final: 0.8398 (t0) REVERT: DX 21 ASN cc_start: 0.7906 (p0) cc_final: 0.7590 (p0) REVERT: D0 2 GLU cc_start: 0.8610 (tp30) cc_final: 0.8223 (tp30) REVERT: D0 6 LYS cc_start: 0.9102 (mmtp) cc_final: 0.8781 (mmtp) REVERT: D0 9 LYS cc_start: 0.9262 (tptm) cc_final: 0.8936 (tptt) REVERT: D2 9 LYS cc_start: 0.9310 (tppt) cc_final: 0.8969 (tppt) REVERT: D2 13 ASP cc_start: 0.8417 (OUTLIER) cc_final: 0.8133 (p0) REVERT: D4 9 LYS cc_start: 0.9282 (tptt) cc_final: 0.9029 (tptm) REVERT: D4 13 ASP cc_start: 0.8696 (m-30) cc_final: 0.8196 (m-30) REVERT: D5 1 MET cc_start: 0.7445 (mtm) cc_final: 0.7146 (mtm) REVERT: D5 21 ASN cc_start: 0.7503 (OUTLIER) cc_final: 0.7055 (p0) REVERT: D6 1 MET cc_start: 0.7155 (tmm) cc_final: 0.5959 (mtm) REVERT: D7 13 ASP cc_start: 0.9000 (t0) cc_final: 0.8611 (t0) REVERT: D8 2 GLU cc_start: 0.8668 (tp30) cc_final: 0.8435 (tp30) REVERT: D8 6 LYS cc_start: 0.9221 (mmtp) cc_final: 0.9008 (mmtm) REVERT: D8 9 LYS cc_start: 0.9249 (tptm) cc_final: 0.9012 (tptm) REVERT: D9 1 MET cc_start: 0.7723 (mtm) cc_final: 0.7247 (mtm) REVERT: EC 9 LYS cc_start: 0.9301 (tptm) cc_final: 0.8828 (tptp) REVERT: EC 13 ASP cc_start: 0.8882 (m-30) cc_final: 0.8442 (m-30) REVERT: EF 13 ASP cc_start: 0.8968 (t0) cc_final: 0.8532 (t0) REVERT: EG 9 LYS cc_start: 0.9306 (tptt) cc_final: 0.8796 (tptm) REVERT: EG 13 ASP cc_start: 0.8753 (m-30) cc_final: 0.7878 (m-30) REVERT: EG 17 LYS cc_start: 0.8940 (mtpt) cc_final: 0.8443 (mtpp) REVERT: EH 6 LYS cc_start: 0.9350 (ptmt) cc_final: 0.8983 (ptpp) REVERT: EK 2 GLU cc_start: 0.8756 (tp30) cc_final: 0.8313 (tp30) REVERT: EK 6 LYS cc_start: 0.9399 (mmtt) cc_final: 0.8999 (mttm) REVERT: EK 9 LYS cc_start: 0.9100 (tptm) cc_final: 0.8637 (tptt) REVERT: EK 13 ASP cc_start: 0.8410 (m-30) cc_final: 0.7232 (m-30) REVERT: EL 12 LYS cc_start: 0.9320 (ttpt) cc_final: 0.9070 (tmmt) REVERT: EN 2 GLU cc_start: 0.8346 (pm20) cc_final: 0.8052 (pm20) REVERT: EO 1 MET cc_start: 0.7262 (pmm) cc_final: 0.6990 (ptp) REVERT: EO 9 LYS cc_start: 0.9290 (tptm) cc_final: 0.8835 (tptt) REVERT: EP 1 MET cc_start: 0.7087 (mtm) cc_final: 0.6644 (mtm) REVERT: EP 6 LYS cc_start: 0.9249 (ptmt) cc_final: 0.8907 (ptpp) REVERT: EQ 2 GLU cc_start: 0.7235 (tm-30) cc_final: 0.7028 (tm-30) REVERT: EQ 13 ASP cc_start: 0.9002 (t70) cc_final: 0.8777 (t0) REVERT: ER 1 MET cc_start: 0.7005 (ptt) cc_final: 0.6663 (ptt) REVERT: ES 9 LYS cc_start: 0.9167 (tptm) cc_final: 0.8696 (tptm) REVERT: ES 15 LEU cc_start: 0.8474 (OUTLIER) cc_final: 0.8144 (tt) REVERT: ET 12 LYS cc_start: 0.9343 (tmmt) cc_final: 0.9111 (tmmt) REVERT: EV 12 LYS cc_start: 0.9289 (tttm) cc_final: 0.8745 (tptp) REVERT: EW 19 LEU cc_start: 0.8193 (OUTLIER) cc_final: 0.7985 (tt) REVERT: EX 13 ASP cc_start: 0.8784 (t0) cc_final: 0.8425 (t0) REVERT: EY 9 LYS cc_start: 0.9273 (tppt) cc_final: 0.9047 (tppt) REVERT: EY 13 ASP cc_start: 0.8574 (OUTLIER) cc_final: 0.8262 (p0) REVERT: EZ 2 GLU cc_start: 0.8571 (pm20) cc_final: 0.8299 (pm20) REVERT: EZ 12 LYS cc_start: 0.9287 (tttt) cc_final: 0.8707 (tptp) REVERT: E0 19 LEU cc_start: 0.8222 (OUTLIER) cc_final: 0.8021 (tt) REVERT: E1 6 LYS cc_start: 0.9335 (ptmt) cc_final: 0.8905 (ptmt) REVERT: E4 1 MET cc_start: 0.7516 (pmm) cc_final: 0.6570 (pmm) REVERT: E4 2 GLU cc_start: 0.8930 (tp30) cc_final: 0.8064 (tp30) REVERT: E4 9 LYS cc_start: 0.9213 (tptm) cc_final: 0.8580 (tptt) REVERT: E4 13 ASP cc_start: 0.8615 (m-30) cc_final: 0.7668 (m-30) REVERT: E5 1 MET cc_start: 0.6973 (mtm) cc_final: 0.6711 (mtm) REVERT: E5 6 LYS cc_start: 0.9336 (ptmt) cc_final: 0.9030 (ptpp) REVERT: E7 13 ASP cc_start: 0.8900 (t0) cc_final: 0.8612 (t0) REVERT: E8 9 LYS cc_start: 0.9236 (tptt) cc_final: 0.8880 (tptm) REVERT: E8 13 ASP cc_start: 0.8458 (m-30) cc_final: 0.7825 (m-30) REVERT: FC 2 GLU cc_start: 0.8852 (tp30) cc_final: 0.8347 (tp30) REVERT: FC 6 LYS cc_start: 0.9288 (mmtm) cc_final: 0.8714 (mttm) REVERT: FC 9 LYS cc_start: 0.9121 (tptt) cc_final: 0.8444 (tptp) REVERT: FC 13 ASP cc_start: 0.8485 (m-30) cc_final: 0.6899 (m-30) REVERT: FC 19 LEU cc_start: 0.8077 (OUTLIER) cc_final: 0.7861 (tt) REVERT: FD 6 LYS cc_start: 0.9275 (ptmt) cc_final: 0.8979 (ptpp) REVERT: FF 1 MET cc_start: 0.7061 (ptt) cc_final: 0.6612 (ptm) REVERT: FF 12 LYS cc_start: 0.9172 (tttt) cc_final: 0.8821 (tppt) REVERT: FG 9 LYS cc_start: 0.9214 (tptm) cc_final: 0.8970 (tptm) REVERT: FG 13 ASP cc_start: 0.8769 (m-30) cc_final: 0.8493 (m-30) REVERT: FH 1 MET cc_start: 0.7131 (mtm) cc_final: 0.6914 (mtm) REVERT: FH 6 LYS cc_start: 0.9344 (ptmt) cc_final: 0.8980 (ptpp) REVERT: FH 12 LYS cc_start: 0.9196 (tmmt) cc_final: 0.8986 (tmmt) REVERT: FL 6 LYS cc_start: 0.9352 (ptmt) cc_final: 0.9004 (ptmt) REVERT: FO 2 GLU cc_start: 0.8876 (tp30) cc_final: 0.8436 (tp30) REVERT: FO 6 LYS cc_start: 0.9232 (mttm) cc_final: 0.8920 (mttm) REVERT: FO 9 LYS cc_start: 0.9233 (tptt) cc_final: 0.8753 (tptp) REVERT: FO 13 ASP cc_start: 0.8634 (m-30) cc_final: 0.7773 (m-30) REVERT: FQ 1 MET cc_start: 0.7124 (ttm) cc_final: 0.6733 (ttt) REVERT: FS 2 GLU cc_start: 0.8831 (tp30) cc_final: 0.8251 (tp30) REVERT: FS 9 LYS cc_start: 0.9173 (tptt) cc_final: 0.8612 (tptm) REVERT: FS 13 ASP cc_start: 0.8770 (m-30) cc_final: 0.7688 (m-30) REVERT: FT 6 LYS cc_start: 0.9341 (ptmt) cc_final: 0.9091 (ptpp) REVERT: FT 12 LYS cc_start: 0.9302 (tmmt) cc_final: 0.8952 (tmmt) REVERT: FU 2 GLU cc_start: 0.7361 (tm-30) cc_final: 0.7072 (tm-30) REVERT: FW 1 MET cc_start: 0.7478 (pmm) cc_final: 0.6993 (pmm) REVERT: FW 2 GLU cc_start: 0.8782 (tp30) cc_final: 0.8091 (tp30) REVERT: FW 6 LYS cc_start: 0.9386 (mmtt) cc_final: 0.8911 (mmtt) REVERT: FX 21 ASN cc_start: 0.7210 (p0) cc_final: 0.6911 (p0) REVERT: FZ 2 GLU cc_start: 0.8221 (pm20) cc_final: 0.7955 (pm20) REVERT: F0 2 GLU cc_start: 0.8976 (tp30) cc_final: 0.8505 (tp30) REVERT: F0 6 LYS cc_start: 0.9426 (mmtt) cc_final: 0.9053 (mmtt) REVERT: F0 13 ASP cc_start: 0.8767 (m-30) cc_final: 0.8461 (m-30) REVERT: F2 10 PHE cc_start: 0.8839 (t80) cc_final: 0.8632 (t80) REVERT: F3 12 LYS cc_start: 0.9234 (tttt) cc_final: 0.8760 (tppt) REVERT: F5 6 LYS cc_start: 0.9279 (ptpt) cc_final: 0.9033 (ptmm) REVERT: F5 12 LYS cc_start: 0.9291 (tmmt) cc_final: 0.9002 (tmmt) REVERT: F7 12 LYS cc_start: 0.9347 (ttpt) cc_final: 0.8820 (tppt) REVERT: F8 6 LYS cc_start: 0.9283 (mmtp) cc_final: 0.8981 (mttm) REVERT: F8 9 LYS cc_start: 0.9270 (tptm) cc_final: 0.8445 (tptt) REVERT: F8 13 ASP cc_start: 0.8837 (m-30) cc_final: 0.7964 (m-30) REVERT: F9 6 LYS cc_start: 0.9347 (ptmt) cc_final: 0.8865 (ptpp) REVERT: GA 13 ASP cc_start: 0.8473 (OUTLIER) cc_final: 0.8260 (p0) REVERT: GC 1 MET cc_start: 0.7797 (pmm) cc_final: 0.7524 (pmm) REVERT: GC 2 GLU cc_start: 0.9031 (OUTLIER) cc_final: 0.8740 (tp30) REVERT: GC 13 ASP cc_start: 0.8712 (m-30) cc_final: 0.8386 (m-30) REVERT: GD 6 LYS cc_start: 0.9280 (ptmt) cc_final: 0.9005 (ptpp) REVERT: GF 13 ASP cc_start: 0.8924 (t0) cc_final: 0.8695 (t0) REVERT: GG 2 GLU cc_start: 0.8729 (tp30) cc_final: 0.8272 (tp30) REVERT: GG 6 LYS cc_start: 0.9196 (mmtt) cc_final: 0.8920 (mmtt) REVERT: GG 9 LYS cc_start: 0.9199 (tptm) cc_final: 0.8745 (tptt) REVERT: GH 21 ASN cc_start: 0.7698 (OUTLIER) cc_final: 0.7441 (p0) REVERT: GI 1 MET cc_start: 0.6138 (ttt) cc_final: 0.5510 (ttt) REVERT: GJ 15 LEU cc_start: 0.9680 (tp) cc_final: 0.9467 (tp) REVERT: GK 2 GLU cc_start: 0.8770 (tp30) cc_final: 0.8481 (tp30) REVERT: GK 6 LYS cc_start: 0.9144 (mmtm) cc_final: 0.8900 (mmtm) REVERT: GK 9 LYS cc_start: 0.9250 (tptm) cc_final: 0.9012 (tptm) REVERT: GL 6 LYS cc_start: 0.9259 (ptmt) cc_final: 0.9040 (ptpp) REVERT: GN 2 GLU cc_start: 0.8375 (pm20) cc_final: 0.8124 (pm20) REVERT: GO 9 LYS cc_start: 0.9268 (tptt) cc_final: 0.8998 (tptt) REVERT: GP 13 ASP cc_start: 0.8770 (t0) cc_final: 0.8561 (t0) REVERT: GR 12 LYS cc_start: 0.9254 (tttm) cc_final: 0.8885 (tppt) REVERT: GS 2 GLU cc_start: 0.8938 (tp30) cc_final: 0.8717 (tp30) REVERT: GS 9 LYS cc_start: 0.9178 (tptm) cc_final: 0.8684 (tptm) REVERT: GS 13 ASP cc_start: 0.8719 (m-30) cc_final: 0.8344 (m-30) REVERT: GS 19 LEU cc_start: 0.8161 (OUTLIER) cc_final: 0.7913 (tt) REVERT: GT 1 MET cc_start: 0.6941 (mtm) cc_final: 0.6681 (mtm) REVERT: GU 1 MET cc_start: 0.7030 (tmm) cc_final: 0.6680 (tmm) REVERT: GW 9 LYS cc_start: 0.9153 (tptm) cc_final: 0.8896 (tptm) REVERT: GW 13 ASP cc_start: 0.8560 (m-30) cc_final: 0.8192 (m-30) REVERT: G0 2 GLU cc_start: 0.8673 (tp30) cc_final: 0.8137 (tp30) REVERT: G0 9 LYS cc_start: 0.9283 (tptt) cc_final: 0.8831 (tppt) REVERT: G0 13 ASP cc_start: 0.8779 (OUTLIER) cc_final: 0.8268 (m-30) REVERT: G1 6 LYS cc_start: 0.9417 (ptmt) cc_final: 0.9044 (ptpp) REVERT: G3 12 LYS cc_start: 0.9390 (ttpt) cc_final: 0.8937 (tptp) REVERT: G4 1 MET cc_start: 0.7269 (pmm) cc_final: 0.6814 (pmm) REVERT: G4 2 GLU cc_start: 0.8774 (tp30) cc_final: 0.8507 (tp30) REVERT: G4 9 LYS cc_start: 0.9269 (tppp) cc_final: 0.8650 (tppp) REVERT: G4 13 ASP cc_start: 0.8565 (m-30) cc_final: 0.7800 (m-30) REVERT: G5 6 LYS cc_start: 0.9291 (ptmt) cc_final: 0.8954 (ptpp) REVERT: G7 19 LEU cc_start: 0.8937 (mt) cc_final: 0.8693 (mt) REVERT: G8 9 LYS cc_start: 0.9189 (tptt) cc_final: 0.8803 (tptp) REVERT: G8 13 ASP cc_start: 0.8762 (m-30) cc_final: 0.7514 (m-30) REVERT: G9 6 LYS cc_start: 0.9260 (ptpt) cc_final: 0.8849 (ptpp) REVERT: G9 12 LYS cc_start: 0.9441 (tmmt) cc_final: 0.9208 (tmmt) REVERT: G9 21 ASN cc_start: 0.7632 (OUTLIER) cc_final: 0.7310 (p0) REVERT: HC 9 LYS cc_start: 0.9239 (tptt) cc_final: 0.8897 (tptm) REVERT: HD 1 MET cc_start: 0.7312 (mtm) cc_final: 0.7014 (mtm) REVERT: HE 1 MET cc_start: 0.7110 (OUTLIER) cc_final: 0.6279 (ttm) REVERT: HE 2 GLU cc_start: 0.8745 (tp30) cc_final: 0.8524 (tp30) REVERT: HG 13 ASP cc_start: 0.8864 (m-30) cc_final: 0.8618 (m-30) REVERT: HH 11 PHE cc_start: 0.8950 (OUTLIER) cc_final: 0.8719 (m-10) REVERT: HI 1 MET cc_start: 0.6971 (OUTLIER) cc_final: 0.6351 (ttt) REVERT: HJ 13 ASP cc_start: 0.8868 (t0) cc_final: 0.8237 (t0) REVERT: HK 1 MET cc_start: 0.7616 (pmm) cc_final: 0.7134 (pmm) REVERT: HK 2 GLU cc_start: 0.8679 (tp30) cc_final: 0.8432 (tp30) REVERT: HK 9 LYS cc_start: 0.9198 (tptt) cc_final: 0.8493 (tptp) REVERT: HK 13 ASP cc_start: 0.8759 (m-30) cc_final: 0.7253 (m-30) REVERT: HL 1 MET cc_start: 0.6653 (mtm) cc_final: 0.6254 (mtm) REVERT: HL 13 ASP cc_start: 0.8827 (t0) cc_final: 0.8568 (t0) REVERT: HN 12 LYS cc_start: 0.9123 (tptm) cc_final: 0.8769 (tppt) REVERT: HO 9 LYS cc_start: 0.9288 (tptt) cc_final: 0.8503 (tptp) REVERT: HO 13 ASP cc_start: 0.8639 (m-30) cc_final: 0.7109 (m-30) REVERT: HP 6 LYS cc_start: 0.9226 (ptpt) cc_final: 0.8841 (ptpp) REVERT: HS 6 LYS cc_start: 0.9336 (mmtt) cc_final: 0.9124 (mmtp) REVERT: HS 9 LYS cc_start: 0.9127 (tptm) cc_final: 0.8424 (tptt) REVERT: HS 13 ASP cc_start: 0.8791 (m-30) cc_final: 0.7713 (m-30) REVERT: HT 1 MET cc_start: 0.7062 (mtm) cc_final: 0.6806 (mtm) REVERT: HT 12 LYS cc_start: 0.9369 (tmmt) cc_final: 0.9059 (tmmt) REVERT: HW 6 LYS cc_start: 0.9137 (mmtm) cc_final: 0.8865 (mmtm) REVERT: HW 9 LYS cc_start: 0.9222 (tptt) cc_final: 0.8876 (tptt) REVERT: HW 13 ASP cc_start: 0.8699 (m-30) cc_final: 0.8161 (m-30) REVERT: HW 15 LEU cc_start: 0.8330 (OUTLIER) cc_final: 0.8029 (tp) REVERT: HX 6 LYS cc_start: 0.9392 (ptmt) cc_final: 0.9130 (ptpp) REVERT: HZ 11 PHE cc_start: 0.9159 (m-10) cc_final: 0.8776 (m-80) REVERT: H0 2 GLU cc_start: 0.8860 (tp30) cc_final: 0.8272 (tp30) REVERT: H0 6 LYS cc_start: 0.9388 (mmtt) cc_final: 0.9026 (mmtt) REVERT: H0 13 ASP cc_start: 0.8586 (m-30) cc_final: 0.8364 (m-30) REVERT: H1 12 LYS cc_start: 0.9295 (tmmt) cc_final: 0.9029 (tmmt) REVERT: H4 2 GLU cc_start: 0.8896 (tp30) cc_final: 0.8574 (tp30) REVERT: H4 6 LYS cc_start: 0.9356 (mmtt) cc_final: 0.9110 (mmtt) REVERT: H4 9 LYS cc_start: 0.9198 (tptt) cc_final: 0.8514 (tptt) REVERT: H4 13 ASP cc_start: 0.8645 (m-30) cc_final: 0.7818 (m-30) REVERT: H5 6 LYS cc_start: 0.9193 (ptpt) cc_final: 0.8952 (ptpp) REVERT: H5 21 ASN cc_start: 0.7337 (OUTLIER) cc_final: 0.7086 (p0) REVERT: H6 1 MET cc_start: 0.6296 (ttp) cc_final: 0.5914 (ttt) REVERT: H7 12 LYS cc_start: 0.8988 (tptm) cc_final: 0.8647 (tppt) REVERT: H7 13 ASP cc_start: 0.8942 (t0) cc_final: 0.8385 (t0) REVERT: H8 9 LYS cc_start: 0.9226 (tptm) cc_final: 0.8852 (tptm) REVERT: H9 6 LYS cc_start: 0.9268 (ptmt) cc_final: 0.8912 (ptmt) REVERT: H9 21 ASN cc_start: 0.7792 (OUTLIER) cc_final: 0.7442 (p0) REVERT: IA 1 MET cc_start: 0.6410 (OUTLIER) cc_final: 0.6049 (ttt) REVERT: IC 9 LYS cc_start: 0.9206 (tptt) cc_final: 0.8740 (tptp) REVERT: IC 13 ASP cc_start: 0.8561 (m-30) cc_final: 0.7712 (m-30) REVERT: ID 1 MET cc_start: 0.7076 (mtm) cc_final: 0.6811 (mtm) REVERT: IH 6 LYS cc_start: 0.9331 (ptpt) cc_final: 0.9022 (ptpp) REVERT: IJ 12 LYS cc_start: 0.9202 (ttpt) cc_final: 0.8771 (tppt) REVERT: IK 9 LYS cc_start: 0.9170 (tptt) cc_final: 0.8655 (tptp) REVERT: IK 13 ASP cc_start: 0.8723 (m-30) cc_final: 0.7469 (m-30) REVERT: IK 19 LEU cc_start: 0.7894 (tt) cc_final: 0.7689 (tt) REVERT: IL 6 LYS cc_start: 0.9303 (ptpt) cc_final: 0.8957 (ptpt) REVERT: IL 21 ASN cc_start: 0.7556 (p0) cc_final: 0.7205 (p0) REVERT: IN 9 LYS cc_start: 0.9352 (tppt) cc_final: 0.9130 (ttmm) REVERT: IN 12 LYS cc_start: 0.9295 (ttpt) cc_final: 0.8808 (tptp) REVERT: IO 1 MET cc_start: 0.7995 (pmm) cc_final: 0.6842 (pmm) REVERT: IO 2 GLU cc_start: 0.8836 (tp30) cc_final: 0.8437 (tp30) REVERT: IO 9 LYS cc_start: 0.9254 (tptt) cc_final: 0.8678 (tptm) REVERT: IO 13 ASP cc_start: 0.8781 (m-30) cc_final: 0.7930 (m-30) REVERT: IP 1 MET cc_start: 0.7417 (mtm) cc_final: 0.6963 (mtm) REVERT: IP 6 LYS cc_start: 0.9288 (ptpt) cc_final: 0.8974 (ptpp) REVERT: IP 13 ASP cc_start: 0.8780 (t0) cc_final: 0.8464 (t0) REVERT: IQ 3 PHE cc_start: 0.8974 (m-80) cc_final: 0.8481 (m-10) REVERT: IR 2 GLU cc_start: 0.8298 (pm20) cc_final: 0.8061 (pm20) REVERT: IR 12 LYS cc_start: 0.9117 (tttt) cc_final: 0.8670 (tppt) REVERT: IS 6 LYS cc_start: 0.9263 (mmtm) cc_final: 0.9059 (mmtm) REVERT: IS 9 LYS cc_start: 0.9208 (tptt) cc_final: 0.8946 (tptm) REVERT: IT 6 LYS cc_start: 0.9283 (ptmt) cc_final: 0.9070 (ptpp) REVERT: IU 13 ASP cc_start: 0.8327 (OUTLIER) cc_final: 0.8114 (p0) REVERT: IW 1 MET cc_start: 0.7569 (pmm) cc_final: 0.6868 (pmm) REVERT: IW 2 GLU cc_start: 0.8789 (tp30) cc_final: 0.8525 (tp30) REVERT: IW 9 LYS cc_start: 0.9289 (tptm) cc_final: 0.9086 (tptm) REVERT: IY 2 GLU cc_start: 0.8627 (tp30) cc_final: 0.8359 (tp30) REVERT: IZ 12 LYS cc_start: 0.9184 (tttm) cc_final: 0.8815 (tppt) REVERT: I1 1 MET cc_start: 0.7062 (mtm) cc_final: 0.6708 (mmm) REVERT: I5 12 LYS cc_start: 0.9265 (tmmt) cc_final: 0.9004 (tmmt) REVERT: I7 12 LYS cc_start: 0.9095 (tttt) cc_final: 0.8708 (tppt) REVERT: I8 2 GLU cc_start: 0.8794 (tp30) cc_final: 0.8461 (tp30) REVERT: I8 9 LYS cc_start: 0.9353 (tptm) cc_final: 0.8973 (tppt) REVERT: I9 6 LYS cc_start: 0.9187 (ptmt) cc_final: 0.8892 (ptpp) REVERT: JB 11 PHE cc_start: 0.9180 (m-10) cc_final: 0.8965 (m-80) REVERT: JC 9 LYS cc_start: 0.9067 (tptt) cc_final: 0.8672 (tptm) REVERT: JC 13 ASP cc_start: 0.8744 (m-30) cc_final: 0.7554 (m-30) REVERT: JD 12 LYS cc_start: 0.9328 (tmmt) cc_final: 0.9066 (tmmt) REVERT: JE 1 MET cc_start: 0.6310 (ttm) cc_final: 0.6054 (ttm) REVERT: JF 12 LYS cc_start: 0.9239 (tttm) cc_final: 0.8876 (tppt) REVERT: JG 9 LYS cc_start: 0.9224 (tptm) cc_final: 0.8843 (tppt) REVERT: JH 12 LYS cc_start: 0.9353 (tmmt) cc_final: 0.9012 (tmmt) REVERT: JJ 15 LEU cc_start: 0.9576 (tp) cc_final: 0.9283 (tp) REVERT: JL 13 ASP cc_start: 0.8847 (t70) cc_final: 0.8435 (t0) REVERT: JN 13 ASP cc_start: 0.9096 (t0) cc_final: 0.8579 (t0) REVERT: JO 2 GLU cc_start: 0.8801 (tp30) cc_final: 0.8449 (tp30) REVERT: JO 6 LYS cc_start: 0.9421 (mmtt) cc_final: 0.9199 (mmtt) REVERT: JO 9 LYS cc_start: 0.9171 (tptm) cc_final: 0.8470 (tptm) REVERT: JO 13 ASP cc_start: 0.8789 (m-30) cc_final: 0.7881 (m-30) REVERT: JP 12 LYS cc_start: 0.9394 (tmmt) cc_final: 0.9150 (tmmt) REVERT: JP 13 ASP cc_start: 0.8799 (t0) cc_final: 0.8535 (t0) REVERT: JT 6 LYS cc_start: 0.9325 (ptpt) cc_final: 0.8969 (ptmt) REVERT: JW 9 LYS cc_start: 0.9029 (tptt) cc_final: 0.8571 (tptm) REVERT: JW 13 ASP cc_start: 0.8631 (m-30) cc_final: 0.7746 (m-30) REVERT: JX 1 MET cc_start: 0.7000 (mtm) cc_final: 0.6714 (mtm) REVERT: JX 13 ASP cc_start: 0.8871 (t0) cc_final: 0.8602 (t70) REVERT: JZ 1 MET cc_start: 0.7278 (ptt) cc_final: 0.7024 (ptp) REVERT: JZ 13 ASP cc_start: 0.8931 (t0) cc_final: 0.8244 (t0) REVERT: J0 1 MET cc_start: 0.7577 (ptp) cc_final: 0.7018 (ptp) REVERT: J0 9 LYS cc_start: 0.9265 (tptm) cc_final: 0.8893 (tptt) REVERT: J0 17 LYS cc_start: 0.9201 (mtpp) cc_final: 0.8924 (mtpt) REVERT: J3 9 LYS cc_start: 0.9130 (tppt) cc_final: 0.8914 (ttmm) REVERT: J3 12 LYS cc_start: 0.9108 (tmmt) cc_final: 0.8615 (tppt) REVERT: J3 13 ASP cc_start: 0.8976 (t0) cc_final: 0.8706 (t0) REVERT: J4 9 LYS cc_start: 0.9247 (tptm) cc_final: 0.8611 (tptt) REVERT: J4 13 ASP cc_start: 0.8588 (m-30) cc_final: 0.7338 (m-30) REVERT: J5 6 LYS cc_start: 0.9297 (ptmt) cc_final: 0.9065 (ptmm) REVERT: J5 13 ASP cc_start: 0.8910 (t0) cc_final: 0.8697 (t0) REVERT: J6 2 GLU cc_start: 0.7089 (tm-30) cc_final: 0.6858 (tm-30) REVERT: KC 9 LYS cc_start: 0.9198 (tptt) cc_final: 0.8558 (tptm) REVERT: KC 13 ASP cc_start: 0.8705 (m-30) cc_final: 0.7390 (m-30) REVERT: KC 19 LEU cc_start: 0.8039 (OUTLIER) cc_final: 0.7820 (tt) REVERT: KD 6 LYS cc_start: 0.9384 (ptpt) cc_final: 0.9012 (ptpp) REVERT: KD 13 ASP cc_start: 0.8923 (t0) cc_final: 0.8480 (t0) REVERT: KF 13 ASP cc_start: 0.8748 (t0) cc_final: 0.8290 (t0) REVERT: KG 2 GLU cc_start: 0.8802 (tp30) cc_final: 0.8359 (tp30) REVERT: KG 6 LYS cc_start: 0.9366 (mmtt) cc_final: 0.9095 (mmtt) REVERT: KG 13 ASP cc_start: 0.8730 (m-30) cc_final: 0.8523 (m-30) REVERT: KH 1 MET cc_start: 0.7240 (mtm) cc_final: 0.6510 (mtm) REVERT: KH 6 LYS cc_start: 0.9064 (ptpp) cc_final: 0.8830 (ptmm) REVERT: KJ 2 GLU cc_start: 0.8487 (pm20) cc_final: 0.8149 (pm20) REVERT: KK 2 GLU cc_start: 0.8671 (tp30) cc_final: 0.8437 (tp30) REVERT: KK 9 LYS cc_start: 0.9162 (tptt) cc_final: 0.8818 (tptm) REVERT: KK 13 ASP cc_start: 0.8684 (m-30) cc_final: 0.7897 (m-30) REVERT: KL 6 LYS cc_start: 0.9370 (ptpt) cc_final: 0.9026 (pttt) REVERT: KL 13 ASP cc_start: 0.8824 (t0) cc_final: 0.8528 (t70) REVERT: KN 13 ASP cc_start: 0.8998 (t0) cc_final: 0.8618 (t0) REVERT: KO 9 LYS cc_start: 0.9211 (tptt) cc_final: 0.8608 (tptm) REVERT: KO 13 ASP cc_start: 0.8660 (m-30) cc_final: 0.7634 (m-30) REVERT: KP 12 LYS cc_start: 0.9346 (tmmt) cc_final: 0.8969 (tmmt) REVERT: KP 15 LEU cc_start: 0.8723 (OUTLIER) cc_final: 0.8505 (tt) REVERT: KR 12 LYS cc_start: 0.9273 (ttpt) cc_final: 0.8864 (tppt) REVERT: KS 9 LYS cc_start: 0.9181 (tptm) cc_final: 0.8863 (tptm) REVERT: KS 13 ASP cc_start: 0.8809 (m-30) cc_final: 0.8443 (m-30) REVERT: KV 13 ASP cc_start: 0.8834 (t0) cc_final: 0.8626 (t0) REVERT: KW 1 MET cc_start: 0.7812 (pmm) cc_final: 0.7224 (pmm) REVERT: KW 9 LYS cc_start: 0.9261 (tptm) cc_final: 0.8861 (tptt) REVERT: KW 13 ASP cc_start: 0.8793 (m-30) cc_final: 0.8247 (m-30) REVERT: KX 6 LYS cc_start: 0.9130 (ptpp) cc_final: 0.8784 (ptmm) REVERT: KZ 12 LYS cc_start: 0.9176 (tttm) cc_final: 0.8651 (tptp) REVERT: K0 13 ASP cc_start: 0.8838 (m-30) cc_final: 0.8513 (m-30) REVERT: K1 1 MET cc_start: 0.6894 (mtm) cc_final: 0.6657 (mtm) REVERT: K1 6 LYS cc_start: 0.9328 (ptmt) cc_final: 0.8955 (ptpp) REVERT: K1 13 ASP cc_start: 0.8845 (t0) cc_final: 0.8517 (t0) REVERT: K3 9 LYS cc_start: 0.9300 (tppt) cc_final: 0.9041 (ttmm) REVERT: K3 12 LYS cc_start: 0.9176 (tttm) cc_final: 0.8950 (tppt) REVERT: K4 1 MET cc_start: 0.7312 (pmm) cc_final: 0.6931 (pmm) REVERT: K4 9 LYS cc_start: 0.9320 (tptm) cc_final: 0.8874 (tptt) REVERT: K4 13 ASP cc_start: 0.8703 (m-30) cc_final: 0.8138 (m-30) REVERT: K5 6 LYS cc_start: 0.9191 (ptmt) cc_final: 0.8855 (ptmt) REVERT: LD 18 PHE cc_start: 0.8817 (t80) cc_final: 0.8183 (t80) REVERT: LE 1 MET cc_start: 0.6692 (tmm) cc_final: 0.6209 (tmm) REVERT: LE 3 PHE cc_start: 0.9082 (m-80) cc_final: 0.8764 (m-80) REVERT: LF 2 GLU cc_start: 0.8260 (pm20) cc_final: 0.7917 (pm20) REVERT: LG 1 MET cc_start: 0.7110 (pmm) cc_final: 0.6444 (pmm) REVERT: LG 9 LYS cc_start: 0.9170 (tptt) cc_final: 0.8876 (tptt) REVERT: LJ 13 ASP cc_start: 0.8798 (t0) cc_final: 0.8129 (t70) REVERT: LK 2 GLU cc_start: 0.8880 (tp30) cc_final: 0.8145 (tp30) REVERT: LK 6 LYS cc_start: 0.9433 (mmtt) cc_final: 0.8862 (mmtm) REVERT: LK 9 LYS cc_start: 0.9125 (tptm) cc_final: 0.8854 (tptm) REVERT: LK 13 ASP cc_start: 0.8855 (m-30) cc_final: 0.8500 (m-30) REVERT: LL 12 LYS cc_start: 0.9354 (tmmt) cc_final: 0.9073 (tmmt) REVERT: LL 21 ASN cc_start: 0.7331 (p0) cc_final: 0.7032 (p0) REVERT: LO 1 MET cc_start: 0.7485 (pmm) cc_final: 0.6568 (pmm) REVERT: LO 2 GLU cc_start: 0.8793 (tp30) cc_final: 0.8507 (tp30) REVERT: LO 9 LYS cc_start: 0.9255 (tptt) cc_final: 0.9030 (tptm) REVERT: LP 6 LYS cc_start: 0.9306 (ptmt) cc_final: 0.9087 (ptpp) REVERT: LS 9 LYS cc_start: 0.9193 (tptt) cc_final: 0.8864 (tptm) REVERT: LS 13 ASP cc_start: 0.8649 (m-30) cc_final: 0.8106 (m-30) REVERT: LT 12 LYS cc_start: 0.9366 (tmmt) cc_final: 0.9161 (tmmt) REVERT: LW 9 LYS cc_start: 0.9234 (tptt) cc_final: 0.8998 (tptm) REVERT: LX 6 LYS cc_start: 0.9337 (ptmt) cc_final: 0.9037 (ptpp) REVERT: LX 12 LYS cc_start: 0.9389 (tmmt) cc_final: 0.9043 (tmmt) REVERT: LZ 12 LYS cc_start: 0.9064 (ttpt) cc_final: 0.8712 (tppt) REVERT: L0 19 LEU cc_start: 0.7789 (OUTLIER) cc_final: 0.7535 (tt) REVERT: L1 13 ASP cc_start: 0.8759 (t0) cc_final: 0.8538 (t0) REVERT: L4 9 LYS cc_start: 0.9217 (tptt) cc_final: 0.8940 (tptt) REVERT: L5 1 MET cc_start: 0.7173 (mtm) cc_final: 0.6967 (mtm) REVERT: L5 13 ASP cc_start: 0.8762 (t0) cc_final: 0.8533 (t0) REVERT: L6 1 MET cc_start: 0.6417 (tmm) cc_final: 0.6050 (tmm) REVERT: L6 2 GLU cc_start: 0.8603 (tp30) cc_final: 0.8386 (tp30) REVERT: L7 12 LYS cc_start: 0.9245 (ttpt) cc_final: 0.8689 (tppt) REVERT: L7 13 ASP cc_start: 0.9058 (t0) cc_final: 0.8607 (t0) REVERT: L8 9 LYS cc_start: 0.9255 (tptm) cc_final: 0.8455 (tptm) REVERT: L8 13 ASP cc_start: 0.8828 (m-30) cc_final: 0.7963 (m-30) REVERT: L8 19 LEU cc_start: 0.7858 (OUTLIER) cc_final: 0.7595 (tt) REVERT: L9 6 LYS cc_start: 0.9356 (ptpt) cc_final: 0.8978 (ptpp) REVERT: L9 12 LYS cc_start: 0.9347 (tmmt) cc_final: 0.9020 (tmmt) REVERT: L9 13 ASP cc_start: 0.8922 (t0) cc_final: 0.8523 (t0) REVERT: MA 2 GLU cc_start: 0.7034 (OUTLIER) cc_final: 0.6539 (pp20) REVERT: MB 9 LYS cc_start: 0.9253 (tppt) cc_final: 0.9014 (ttmm) REVERT: MC 2 GLU cc_start: 0.8873 (tp30) cc_final: 0.8530 (tp30) REVERT: MD 6 LYS cc_start: 0.9301 (ptmt) cc_final: 0.8949 (ptpp) REVERT: MD 12 LYS cc_start: 0.9408 (tmmt) cc_final: 0.9017 (tmmt) REVERT: MD 13 ASP cc_start: 0.8698 (t0) cc_final: 0.8434 (t0) REVERT: MG 2 GLU cc_start: 0.8668 (tp30) cc_final: 0.8173 (tp30) REVERT: MG 6 LYS cc_start: 0.9353 (mmtp) cc_final: 0.9000 (mmtm) REVERT: MG 13 ASP cc_start: 0.8704 (m-30) cc_final: 0.8161 (m-30) REVERT: MG 15 LEU cc_start: 0.8261 (OUTLIER) cc_final: 0.7692 (tt) REVERT: MH 6 LYS cc_start: 0.9284 (ptmt) cc_final: 0.9054 (ptpp) REVERT: MH 13 ASP cc_start: 0.8900 (t0) cc_final: 0.8514 (t0) REVERT: MJ 2 GLU cc_start: 0.8551 (pm20) cc_final: 0.8284 (pm20) REVERT: MJ 12 LYS cc_start: 0.9138 (ttpt) cc_final: 0.8649 (tppt) REVERT: MJ 13 ASP cc_start: 0.8847 (t0) cc_final: 0.8553 (t70) REVERT: MK 6 LYS cc_start: 0.9285 (mttm) cc_final: 0.8826 (mmtm) REVERT: MK 19 LEU cc_start: 0.8142 (OUTLIER) cc_final: 0.7935 (tt) REVERT: ML 12 LYS cc_start: 0.9379 (tmmt) cc_final: 0.9043 (tmmt) REVERT: MO 2 GLU cc_start: 0.8844 (tp30) cc_final: 0.8466 (tp30) REVERT: MO 6 LYS cc_start: 0.9254 (mtpp) cc_final: 0.8993 (mtpp) REVERT: MO 9 LYS cc_start: 0.9142 (tptt) cc_final: 0.8705 (tptp) REVERT: MO 13 ASP cc_start: 0.8700 (m-30) cc_final: 0.8034 (m-30) REVERT: MO 19 LEU cc_start: 0.8188 (OUTLIER) cc_final: 0.7988 (tt) REVERT: MR 2 GLU cc_start: 0.8393 (pm20) cc_final: 0.8192 (pm20) REVERT: MR 11 PHE cc_start: 0.8993 (m-10) cc_final: 0.8695 (m-80) REVERT: MS 9 LYS cc_start: 0.9223 (tptm) cc_final: 0.8894 (tptm) REVERT: MT 6 LYS cc_start: 0.9050 (ptpp) cc_final: 0.8771 (ptmm) REVERT: MT 21 ASN cc_start: 0.7208 (p0) cc_final: 0.6791 (p0) REVERT: MU 1 MET cc_start: 0.6301 (tmm) cc_final: 0.6059 (tmm) REVERT: MX 12 LYS cc_start: 0.9277 (tmmt) cc_final: 0.8970 (tmmt) REVERT: MY 2 GLU cc_start: 0.8512 (tp30) cc_final: 0.8184 (tp30) REVERT: M0 2 GLU cc_start: 0.8892 (tp30) cc_final: 0.8279 (tp30) REVERT: M0 6 LYS cc_start: 0.9082 (ttmm) cc_final: 0.8826 (mmtp) REVERT: M0 9 LYS cc_start: 0.9100 (tptt) cc_final: 0.8729 (tptp) REVERT: M0 13 ASP cc_start: 0.8713 (m-30) cc_final: 0.8078 (m-30) REVERT: M1 6 LYS cc_start: 0.9294 (ptmt) cc_final: 0.9021 (ptpp) REVERT: M4 9 LYS cc_start: 0.9234 (tptt) cc_final: 0.8908 (tptt) REVERT: M5 12 LYS cc_start: 0.9408 (tttm) cc_final: 0.9119 (tmmt) REVERT: M6 1 MET cc_start: 0.6283 (ttm) cc_final: 0.5944 (ttt) REVERT: M8 9 LYS cc_start: 0.9223 (tptt) cc_final: 0.8476 (tptm) REVERT: M8 13 ASP cc_start: 0.8731 (m-30) cc_final: 0.7643 (m-30) REVERT: M9 6 LYS cc_start: 0.9242 (ptpt) cc_final: 0.8973 (ptpp) REVERT: NB 2 GLU cc_start: 0.8489 (pm20) cc_final: 0.8151 (pm20) REVERT: NB 12 LYS cc_start: 0.9293 (ttpt) cc_final: 0.8897 (tppt) REVERT: NC 1 MET cc_start: 0.7676 (pmm) cc_final: 0.7437 (ptp) REVERT: NC 13 ASP cc_start: 0.8610 (m-30) cc_final: 0.8333 (m-30) REVERT: ND 6 LYS cc_start: 0.9353 (ptmt) cc_final: 0.8948 (ptpp) REVERT: ND 13 ASP cc_start: 0.8854 (t0) cc_final: 0.8542 (t0) REVERT: NF 1 MET cc_start: 0.6599 (ptt) cc_final: 0.6365 (ptt) REVERT: NF 13 ASP cc_start: 0.8948 (t0) cc_final: 0.8449 (t70) REVERT: NG 2 GLU cc_start: 0.8812 (tp30) cc_final: 0.8548 (mm-30) REVERT: NG 6 LYS cc_start: 0.9174 (mmtm) cc_final: 0.8913 (mmtm) REVERT: NG 9 LYS cc_start: 0.9328 (tptm) cc_final: 0.8897 (tptp) REVERT: NK 1 MET cc_start: 0.7005 (pmm) cc_final: 0.6307 (pmm) REVERT: NL 6 LYS cc_start: 0.9233 (ptpt) cc_final: 0.8927 (pttt) REVERT: NL 13 ASP cc_start: 0.8873 (t0) cc_final: 0.8541 (t0) REVERT: NL 21 ASN cc_start: 0.7254 (p0) cc_final: 0.7053 (p0) REVERT: NM 2 GLU cc_start: 0.7879 (OUTLIER) cc_final: 0.7372 (tm-30) REVERT: NN 13 ASP cc_start: 0.8974 (t0) cc_final: 0.8552 (t0) REVERT: NO 2 GLU cc_start: 0.8823 (tp30) cc_final: 0.8350 (tp30) REVERT: NO 6 LYS cc_start: 0.9300 (mmtt) cc_final: 0.8952 (mmtt) REVERT: NO 9 LYS cc_start: 0.9184 (tptt) cc_final: 0.8552 (tptp) REVERT: NO 13 ASP cc_start: 0.8623 (m-30) cc_final: 0.7567 (m-30) REVERT: NR 12 LYS cc_start: 0.9262 (ttpt) cc_final: 0.8751 (tppt) REVERT: NS 9 LYS cc_start: 0.9290 (tptm) cc_final: 0.8927 (tppt) REVERT: NS 17 LYS cc_start: 0.9053 (mtpt) cc_final: 0.8717 (mtpt) REVERT: NT 6 LYS cc_start: 0.9272 (ptmt) cc_final: 0.8896 (ptpp) REVERT: NT 13 ASP cc_start: 0.8811 (t0) cc_final: 0.8440 (t0) REVERT: NU 2 GLU cc_start: 0.7213 (tm-30) cc_final: 0.6962 (tm-30) REVERT: NW 2 GLU cc_start: 0.8786 (tp30) cc_final: 0.8478 (tp30) REVERT: NW 6 LYS cc_start: 0.9203 (mmtm) cc_final: 0.8871 (mmtp) REVERT: NW 9 LYS cc_start: 0.9204 (tptm) cc_final: 0.8860 (tptt) REVERT: NZ 2 GLU cc_start: 0.8289 (pm20) cc_final: 0.8002 (pm20) REVERT: N0 2 GLU cc_start: 0.8817 (tp30) cc_final: 0.8406 (tp30) REVERT: N0 6 LYS cc_start: 0.9349 (mmtm) cc_final: 0.9117 (mmtt) REVERT: N0 13 ASP cc_start: 0.8596 (m-30) cc_final: 0.8239 (m-30) REVERT: N3 12 LYS cc_start: 0.9171 (tttm) cc_final: 0.8771 (tppt) REVERT: N4 2 GLU cc_start: 0.8697 (tp30) cc_final: 0.8384 (tp30) REVERT: N4 9 LYS cc_start: 0.9235 (tptm) cc_final: 0.8858 (tptt) REVERT: N7 12 LYS cc_start: 0.9222 (ttpt) cc_final: 0.8848 (tppp) REVERT: N8 9 LYS cc_start: 0.9104 (tptt) cc_final: 0.8797 (tptm) REVERT: N8 13 ASP cc_start: 0.8642 (m-30) cc_final: 0.8178 (m-30) REVERT: N9 9 LYS cc_start: 0.9181 (ttpt) cc_final: 0.8970 (ttmt) REVERT: N9 12 LYS cc_start: 0.9254 (tmmt) cc_final: 0.8947 (tmmt) REVERT: N9 13 ASP cc_start: 0.8828 (t0) cc_final: 0.8505 (t0) REVERT: N9 21 ASN cc_start: 0.7675 (OUTLIER) cc_final: 0.7351 (p0) REVERT: OA 19 LEU cc_start: 0.8737 (pp) cc_final: 0.8516 (pp) REVERT: OC 9 LYS cc_start: 0.9314 (tptm) cc_final: 0.8692 (tptp) REVERT: OC 13 ASP cc_start: 0.8652 (m-30) cc_final: 0.7862 (m-30) REVERT: OD 1 MET cc_start: 0.7005 (mtm) cc_final: 0.6632 (mtm) REVERT: OD 6 LYS cc_start: 0.9206 (ptmt) cc_final: 0.8978 (ptpp) REVERT: OE 9 LYS cc_start: 0.9260 (tppt) cc_final: 0.9058 (tppt) REVERT: OF 12 LYS cc_start: 0.9170 (tttm) cc_final: 0.8874 (tppt) REVERT: OG 9 LYS cc_start: 0.9012 (tptp) cc_final: 0.8732 (tptt) REVERT: OH 1 MET cc_start: 0.7282 (mtm) cc_final: 0.6746 (mtm) REVERT: OH 6 LYS cc_start: 0.9307 (ptmt) cc_final: 0.8904 (ptmt) REVERT: OJ 1 MET cc_start: 0.8241 (ptm) cc_final: 0.7993 (ptm) REVERT: OK 2 GLU cc_start: 0.8765 (tp30) cc_final: 0.8072 (tp30) REVERT: OK 6 LYS cc_start: 0.9366 (mttm) cc_final: 0.8943 (mttm) REVERT: OO 9 LYS cc_start: 0.9122 (tptt) cc_final: 0.8702 (tptt) REVERT: OP 1 MET cc_start: 0.7232 (mtm) cc_final: 0.6955 (mtm) REVERT: OP 6 LYS cc_start: 0.9199 (ptmt) cc_final: 0.8899 (ptpp) REVERT: OQ 1 MET cc_start: 0.7011 (ttp) cc_final: 0.6442 (tmm) REVERT: OR 12 LYS cc_start: 0.9284 (ttpt) cc_final: 0.8794 (tppt) REVERT: OR 13 ASP cc_start: 0.8917 (t0) cc_final: 0.8280 (t0) REVERT: OS 13 ASP cc_start: 0.8709 (m-30) cc_final: 0.8422 (m-30) REVERT: OT 1 MET cc_start: 0.7183 (mtm) cc_final: 0.6894 (mtm) REVERT: OT 15 LEU cc_start: 0.9016 (OUTLIER) cc_final: 0.8551 (tp) REVERT: OX 6 LYS cc_start: 0.9279 (ptmt) cc_final: 0.8996 (ptpp) REVERT: OX 12 LYS cc_start: 0.9342 (tmmt) cc_final: 0.9061 (tmmt) REVERT: O0 13 ASP cc_start: 0.8646 (m-30) cc_final: 0.8270 (m-30) REVERT: O1 6 LYS cc_start: 0.9314 (ptmt) cc_final: 0.9112 (ptpp) REVERT: O1 12 LYS cc_start: 0.9339 (tmmt) cc_final: 0.9095 (tmmt) REVERT: O1 15 LEU cc_start: 0.8925 (OUTLIER) cc_final: 0.8499 (tp) REVERT: O2 8 PHE cc_start: 0.9158 (m-80) cc_final: 0.8916 (m-80) REVERT: O3 6 LYS cc_start: 0.9232 (ttmm) cc_final: 0.8984 (mtmm) REVERT: O4 1 MET cc_start: 0.3828 (OUTLIER) cc_final: 0.3062 (mmt) REVERT: O4 17 LYS cc_start: 0.9157 (mtpp) cc_final: 0.8830 (mtpp) REVERT: O5 6 LYS cc_start: 0.9374 (ptpt) cc_final: 0.9078 (pttt) REVERT: O5 13 ASP cc_start: 0.8808 (t0) cc_final: 0.8485 (t70) REVERT: O7 13 ASP cc_start: 0.8950 (t0) cc_final: 0.8549 (t0) REVERT: O8 9 LYS cc_start: 0.9190 (tptt) cc_final: 0.8766 (tptp) REVERT: O8 13 ASP cc_start: 0.8606 (m-30) cc_final: 0.7722 (m-30) REVERT: O8 15 LEU cc_start: 0.8290 (OUTLIER) cc_final: 0.8075 (tp) REVERT: O9 21 ASN cc_start: 0.7085 (p0) cc_final: 0.6861 (p0) REVERT: PC 2 GLU cc_start: 0.8781 (tp30) cc_final: 0.8335 (tp30) REVERT: PC 9 LYS cc_start: 0.9212 (tptm) cc_final: 0.8415 (tptm) REVERT: PC 13 ASP cc_start: 0.8800 (m-30) cc_final: 0.8047 (m-30) REVERT: PF 12 LYS cc_start: 0.9140 (tttt) cc_final: 0.8735 (tppt) REVERT: PF 15 LEU cc_start: 0.9664 (tp) cc_final: 0.9436 (tp) REVERT: PH 6 LYS cc_start: 0.9049 (ptpp) cc_final: 0.8742 (ptmm) REVERT: PJ 13 ASP cc_start: 0.8924 (t0) cc_final: 0.8347 (t0) REVERT: PK 13 ASP cc_start: 0.8870 (m-30) cc_final: 0.8650 (m-30) REVERT: PN 13 ASP cc_start: 0.9163 (t0) cc_final: 0.8802 (t0) REVERT: PO 9 LYS cc_start: 0.9159 (tptt) cc_final: 0.8554 (tptm) REVERT: PO 13 ASP cc_start: 0.8579 (m-30) cc_final: 0.7650 (m-30) REVERT: PP 6 LYS cc_start: 0.9261 (ptmt) cc_final: 0.8982 (ptpp) REVERT: PP 21 ASN cc_start: 0.7501 (p0) cc_final: 0.7263 (p0) REVERT: PR 2 GLU cc_start: 0.8487 (pm20) cc_final: 0.8150 (pm20) REVERT: PS 9 LYS cc_start: 0.9276 (tptm) cc_final: 0.8772 (tptm) REVERT: PS 13 ASP cc_start: 0.8876 (m-30) cc_final: 0.8094 (m-30) REVERT: PS 19 LEU cc_start: 0.8280 (OUTLIER) cc_final: 0.8043 (tt) REVERT: PU 2 GLU cc_start: 0.7156 (tm-30) cc_final: 0.6628 (tm-30) REVERT: PV 12 LYS cc_start: 0.9208 (tttm) cc_final: 0.8659 (tptp) REVERT: PV 13 ASP cc_start: 0.9044 (t0) cc_final: 0.8520 (t0) REVERT: PW 9 LYS cc_start: 0.9233 (tptt) cc_final: 0.8753 (tptm) REVERT: PW 13 ASP cc_start: 0.8636 (m-30) cc_final: 0.7708 (m-30) REVERT: PX 6 LYS cc_start: 0.9306 (ptmt) cc_final: 0.9001 (ptpp) REVERT: PZ 12 LYS cc_start: 0.9326 (ttpt) cc_final: 0.8920 (tppt) REVERT: P0 9 LYS cc_start: 0.9189 (tptt) cc_final: 0.8812 (tptm) REVERT: P0 13 ASP cc_start: 0.8653 (m-30) cc_final: 0.7791 (m-30) REVERT: P0 19 LEU cc_start: 0.7927 (OUTLIER) cc_final: 0.7706 (tt) REVERT: P1 15 LEU cc_start: 0.8698 (OUTLIER) cc_final: 0.8464 (tp) REVERT: P3 9 LYS cc_start: 0.9312 (tppt) cc_final: 0.9054 (ttmm) REVERT: P4 2 GLU cc_start: 0.8979 (tp30) cc_final: 0.8238 (tp30) REVERT: P4 6 LYS cc_start: 0.9261 (mmtt) cc_final: 0.8785 (mmtm) REVERT: P4 13 ASP cc_start: 0.8725 (m-30) cc_final: 0.8162 (m-30) REVERT: P5 6 LYS cc_start: 0.9312 (ptmt) cc_final: 0.9076 (ptpp) REVERT: P5 12 LYS cc_start: 0.9358 (tmmt) cc_final: 0.9065 (tmmt) REVERT: P6 13 ASP cc_start: 0.8618 (OUTLIER) cc_final: 0.8404 (p0) REVERT: P8 9 LYS cc_start: 0.9170 (tptm) cc_final: 0.8916 (tptm) REVERT: P8 13 ASP cc_start: 0.8756 (m-30) cc_final: 0.8368 (m-30) REVERT: P9 1 MET cc_start: 0.7330 (mtm) cc_final: 0.7103 (mtm) REVERT: QC 9 LYS cc_start: 0.9234 (tptt) cc_final: 0.8842 (tptm) REVERT: QC 13 ASP cc_start: 0.8616 (m-30) cc_final: 0.7910 (m-30) REVERT: QD 6 LYS cc_start: 0.9330 (ptmt) cc_final: 0.9045 (ptpp) REVERT: QD 13 ASP cc_start: 0.8938 (t0) cc_final: 0.8657 (t0) REVERT: QE 1 MET cc_start: 0.6420 (ttt) cc_final: 0.6110 (ttt) REVERT: QF 1 MET cc_start: 0.6667 (ptt) cc_final: 0.6412 (ptt) REVERT: QG 9 LYS cc_start: 0.9273 (tptt) cc_final: 0.8845 (tptm) REVERT: QG 13 ASP cc_start: 0.8635 (m-30) cc_final: 0.7831 (m-30) REVERT: QH 6 LYS cc_start: 0.9306 (ptmt) cc_final: 0.8918 (ptmt) REVERT: QH 12 LYS cc_start: 0.9398 (tmmt) cc_final: 0.9064 (tmmt) REVERT: QK 9 LYS cc_start: 0.9231 (tptm) cc_final: 0.8830 (tptm) REVERT: QL 12 LYS cc_start: 0.9319 (tmmt) cc_final: 0.9103 (tmmt) REVERT: QN 2 GLU cc_start: 0.8456 (pm20) cc_final: 0.8157 (pm20) REVERT: QO 9 LYS cc_start: 0.9167 (tptt) cc_final: 0.8845 (tptt) REVERT: QP 15 LEU cc_start: 0.8807 (OUTLIER) cc_final: 0.8491 (tp) REVERT: QP 18 PHE cc_start: 0.8725 (t80) cc_final: 0.8326 (t80) REVERT: QQ 1 MET cc_start: 0.7110 (ttp) cc_final: 0.6237 (tmm) REVERT: QQ 3 PHE cc_start: 0.8750 (m-80) cc_final: 0.8522 (m-10) REVERT: QS 2 GLU cc_start: 0.8671 (tp30) cc_final: 0.8418 (tp30) REVERT: QS 9 LYS cc_start: 0.9204 (tptm) cc_final: 0.8942 (tptm) REVERT: QT 13 ASP cc_start: 0.8822 (t0) cc_final: 0.8483 (t0) REVERT: QW 9 LYS cc_start: 0.9288 (tptm) cc_final: 0.8616 (tptm) REVERT: QW 13 ASP cc_start: 0.8732 (m-30) cc_final: 0.8026 (m-30) REVERT: QX 1 MET cc_start: 0.7213 (mtm) cc_final: 0.6909 (mtm) REVERT: QX 6 LYS cc_start: 0.9238 (ptmt) cc_final: 0.8753 (ptpp) REVERT: QX 21 ASN cc_start: 0.7468 (p0) cc_final: 0.7114 (p0) REVERT: QZ 12 LYS cc_start: 0.9152 (ttpt) cc_final: 0.8698 (tppt) REVERT: Q1 13 ASP cc_start: 0.8903 (t0) cc_final: 0.8546 (t0) REVERT: Q1 21 ASN cc_start: 0.7499 (p0) cc_final: 0.7161 (p0) REVERT: Q4 2 GLU cc_start: 0.8976 (tp30) cc_final: 0.8356 (tp30) REVERT: Q4 6 LYS cc_start: 0.9412 (mmtt) cc_final: 0.9059 (mmtm) REVERT: Q4 9 LYS cc_start: 0.9200 (tptt) cc_final: 0.8951 (tptp) REVERT: Q5 13 ASP cc_start: 0.8810 (t0) cc_final: 0.8520 (t0) REVERT: Q7 2 GLU cc_start: 0.8490 (pm20) cc_final: 0.8222 (pm20) REVERT: Q8 2 GLU cc_start: 0.8877 (tp30) cc_final: 0.8092 (tp30) REVERT: Q8 6 LYS cc_start: 0.9434 (mmtt) cc_final: 0.9118 (mmtm) REVERT: Q8 9 LYS cc_start: 0.9214 (tptt) cc_final: 0.8768 (tptt) REVERT: Q8 13 ASP cc_start: 0.8702 (m-30) cc_final: 0.8107 (m-30) REVERT: Q9 1 MET cc_start: 0.7400 (mtm) cc_final: 0.7065 (mtm) REVERT: RA 1 MET cc_start: 0.6560 (ttm) cc_final: 0.6282 (ttm) REVERT: RC 9 LYS cc_start: 0.9207 (tptt) cc_final: 0.8912 (tptm) REVERT: RC 13 ASP cc_start: 0.8628 (m-30) cc_final: 0.8026 (m-30) REVERT: RD 6 LYS cc_start: 0.9286 (ptmt) cc_final: 0.8942 (ptpp) REVERT: RF 2 GLU cc_start: 0.8179 (pm20) cc_final: 0.7832 (pm20) REVERT: RG 9 LYS cc_start: 0.9287 (tptt) cc_final: 0.9002 (tptm) REVERT: RG 13 ASP cc_start: 0.8652 (m-30) cc_final: 0.8085 (m-30) REVERT: RH 13 ASP cc_start: 0.8804 (t0) cc_final: 0.8502 (t0) REVERT: RJ 12 LYS cc_start: 0.9129 (tttm) cc_final: 0.8826 (tppt) REVERT: RK 13 ASP cc_start: 0.8778 (m-30) cc_final: 0.8560 (m-30) REVERT: RK 18 PHE cc_start: 0.8879 (OUTLIER) cc_final: 0.8387 (t80) REVERT: RL 13 ASP cc_start: 0.8914 (t0) cc_final: 0.8693 (t70) REVERT: RN 12 LYS cc_start: 0.8969 (tptm) cc_final: 0.8540 (tppt) REVERT: RO 9 LYS cc_start: 0.9253 (tptt) cc_final: 0.8739 (tptp) REVERT: RO 13 ASP cc_start: 0.8751 (m-30) cc_final: 0.7433 (m-30) REVERT: RO 19 LEU cc_start: 0.8121 (OUTLIER) cc_final: 0.7885 (tt) REVERT: RP 12 LYS cc_start: 0.9464 (tmmt) cc_final: 0.9196 (tmmt) REVERT: RQ 13 ASP cc_start: 0.8475 (OUTLIER) cc_final: 0.8247 (p0) REVERT: RT 6 LYS cc_start: 0.9338 (ptmt) cc_final: 0.8973 (ptpp) REVERT: RU 2 GLU cc_start: 0.8689 (tp30) cc_final: 0.8485 (tp30) REVERT: RV 2 GLU cc_start: 0.8213 (pm20) cc_final: 0.7866 (pm20) REVERT: RV 12 LYS cc_start: 0.9191 (tttt) cc_final: 0.8642 (tptp) REVERT: RW 1 MET cc_start: 0.3854 (OUTLIER) cc_final: 0.2541 (mmt) REVERT: RW 9 LYS cc_start: 0.9305 (tptt) cc_final: 0.8984 (tptm) REVERT: RW 13 ASP cc_start: 0.8568 (m-30) cc_final: 0.7963 (m-30) REVERT: RX 21 ASN cc_start: 0.7300 (p0) cc_final: 0.7064 (p0) REVERT: RY 1 MET cc_start: 0.6735 (ttt) cc_final: 0.6369 (ttt) REVERT: RZ 1 MET cc_start: 0.7130 (ptp) cc_final: 0.6779 (ptt) REVERT: R0 2 GLU cc_start: 0.8870 (tp30) cc_final: 0.8399 (tp30) REVERT: R0 6 LYS cc_start: 0.9369 (mmtt) cc_final: 0.9016 (mmtp) REVERT: R1 6 LYS cc_start: 0.9319 (ptmt) cc_final: 0.9063 (ptpp) REVERT: R1 18 PHE cc_start: 0.8863 (t80) cc_final: 0.8640 (t80) REVERT: R3 2 GLU cc_start: 0.8439 (pm20) cc_final: 0.8172 (pm20) REVERT: R4 9 LYS cc_start: 0.9247 (tptm) cc_final: 0.8944 (tptm) REVERT: R4 13 ASP cc_start: 0.8889 (OUTLIER) cc_final: 0.8576 (m-30) REVERT: R5 6 LYS cc_start: 0.9296 (ptmt) cc_final: 0.8938 (ptmt) REVERT: R5 13 ASP cc_start: 0.8922 (t0) cc_final: 0.8677 (t70) REVERT: R7 9 LYS cc_start: 0.9231 (tppt) cc_final: 0.9008 (ttmm) REVERT: R8 9 LYS cc_start: 0.9232 (tptm) cc_final: 0.8607 (tptp) REVERT: R8 13 ASP cc_start: 0.8816 (m-30) cc_final: 0.7802 (m-30) REVERT: SA 1 MET cc_start: 0.6451 (tmm) cc_final: 0.6093 (tmm) REVERT: SC 9 LYS cc_start: 0.9249 (tptt) cc_final: 0.8766 (tptm) REVERT: SC 13 ASP cc_start: 0.8561 (m-30) cc_final: 0.7796 (m-30) REVERT: SF 13 ASP cc_start: 0.8962 (t0) cc_final: 0.8632 (t0) REVERT: SG 2 GLU cc_start: 0.9077 (tp30) cc_final: 0.8685 (tp30) REVERT: SG 6 LYS cc_start: 0.9378 (mmtt) cc_final: 0.9085 (mmtm) REVERT: SG 9 LYS cc_start: 0.9276 (tptm) cc_final: 0.8882 (tptm) REVERT: SG 13 ASP cc_start: 0.8579 (m-30) cc_final: 0.7729 (m-30) REVERT: SJ 12 LYS cc_start: 0.9252 (OUTLIER) cc_final: 0.8727 (tppt) REVERT: SK 2 GLU cc_start: 0.8711 (tp30) cc_final: 0.8018 (tp30) REVERT: SK 6 LYS cc_start: 0.9333 (mmtm) cc_final: 0.8881 (mtpp) REVERT: SK 13 ASP cc_start: 0.8653 (m-30) cc_final: 0.8430 (m-30) REVERT: SL 6 LYS cc_start: 0.9170 (ptmt) cc_final: 0.8916 (ptpp) REVERT: SM 14 LEU cc_start: 0.9165 (tp) cc_final: 0.8941 (tp) REVERT: SO 2 GLU cc_start: 0.8801 (tp30) cc_final: 0.8372 (tp30) REVERT: SO 9 LYS cc_start: 0.9323 (tptm) cc_final: 0.8989 (tptt) REVERT: SP 1 MET cc_start: 0.7438 (mtm) cc_final: 0.7190 (mtm) REVERT: SP 11 PHE cc_start: 0.8962 (OUTLIER) cc_final: 0.8699 (m-10) REVERT: SQ 13 ASP cc_start: 0.8450 (OUTLIER) cc_final: 0.8234 (p0) REVERT: SS 9 LYS cc_start: 0.9238 (tptm) cc_final: 0.8743 (tptt) REVERT: SS 13 ASP cc_start: 0.8630 (m-30) cc_final: 0.7767 (m-30) REVERT: SS 19 LEU cc_start: 0.7980 (OUTLIER) cc_final: 0.7708 (tt) REVERT: ST 13 ASP cc_start: 0.8839 (t0) cc_final: 0.8462 (t0) REVERT: ST 21 ASN cc_start: 0.7503 (p0) cc_final: 0.7292 (p0) REVERT: SV 12 LYS cc_start: 0.9269 (ttpt) cc_final: 0.8878 (tppt) REVERT: SW 9 LYS cc_start: 0.9138 (tptm) cc_final: 0.8862 (tptm) REVERT: SW 13 ASP cc_start: 0.8828 (m-30) cc_final: 0.8486 (m-30) REVERT: SX 6 LYS cc_start: 0.9234 (ptmt) cc_final: 0.8972 (ptpp) REVERT: SY 2 GLU cc_start: 0.8419 (tp30) cc_final: 0.8054 (tp30) REVERT: S0 9 LYS cc_start: 0.9017 (tptt) cc_final: 0.8741 (tptm) REVERT: S0 13 ASP cc_start: 0.8621 (m-30) cc_final: 0.7962 (m-30) REVERT: S1 6 LYS cc_start: 0.9275 (ptpt) cc_final: 0.8922 (pttt) REVERT: S4 9 LYS cc_start: 0.9203 (tptm) cc_final: 0.8797 (tptt) REVERT: S4 13 ASP cc_start: 0.8614 (m-30) cc_final: 0.7779 (m-30) REVERT: S4 17 LYS cc_start: 0.9110 (mtpt) cc_final: 0.8563 (mtpp) REVERT: S4 18 PHE cc_start: 0.8873 (OUTLIER) cc_final: 0.8524 (t80) REVERT: S5 6 LYS cc_start: 0.9311 (ptmt) cc_final: 0.8885 (ptmt) REVERT: S7 11 PHE cc_start: 0.9074 (m-10) cc_final: 0.8781 (m-80) REVERT: S8 9 LYS cc_start: 0.9222 (tptm) cc_final: 0.8884 (tptt) REVERT: S8 13 ASP cc_start: 0.8664 (m-30) cc_final: 0.7963 (m-30) REVERT: S9 13 ASP cc_start: 0.8771 (t0) cc_final: 0.8492 (t0) REVERT: TA 2 GLU cc_start: 0.7212 (tm-30) cc_final: 0.6830 (tm-30) REVERT: TB 1 MET cc_start: 0.6770 (ptt) cc_final: 0.6518 (ptt) REVERT: TB 9 LYS cc_start: 0.9265 (tppt) cc_final: 0.9061 (ttmm) REVERT: TC 13 ASP cc_start: 0.8671 (m-30) cc_final: 0.8369 (m-30) REVERT: TE 13 ASP cc_start: 0.8659 (OUTLIER) cc_final: 0.8416 (p0) REVERT: TF 9 LYS cc_start: 0.9259 (tppt) cc_final: 0.9023 (ttmm) REVERT: TG 9 LYS cc_start: 0.9293 (tptm) cc_final: 0.8892 (tptt) REVERT: TJ 12 LYS cc_start: 0.9092 (tttm) cc_final: 0.8781 (tppt) REVERT: TK 9 LYS cc_start: 0.9219 (tptt) cc_final: 0.8819 (tptm) REVERT: TK 12 LYS cc_start: 0.9073 (ttmt) cc_final: 0.8664 (mptt) REVERT: TK 13 ASP cc_start: 0.8708 (m-30) cc_final: 0.8097 (m-30) REVERT: TL 6 LYS cc_start: 0.9250 (ptmt) cc_final: 0.8921 (ptpp) REVERT: TM 1 MET cc_start: 0.6954 (tmm) cc_final: 0.6102 (tmm) REVERT: TO 12 LYS cc_start: 0.9183 (ttmt) cc_final: 0.8923 (mptt) REVERT: TO 13 ASP cc_start: 0.8733 (m-30) cc_final: 0.7979 (m-30) REVERT: TO 17 LYS cc_start: 0.9173 (mtpp) cc_final: 0.8886 (mtpp) REVERT: TP 13 ASP cc_start: 0.8725 (t0) cc_final: 0.8416 (t0) REVERT: TQ 1 MET cc_start: 0.6443 (tmm) cc_final: 0.6010 (tmm) REVERT: TR 12 LYS cc_start: 0.9165 (tttm) cc_final: 0.8793 (tptt) REVERT: TS 13 ASP cc_start: 0.8512 (m-30) cc_final: 0.8253 (m-30) REVERT: TT 1 MET cc_start: 0.6851 (mtm) cc_final: 0.6644 (mtm) REVERT: TT 12 LYS cc_start: 0.9374 (tmmt) cc_final: 0.9134 (tmmt) REVERT: TV 12 LYS cc_start: 0.9095 (tttm) cc_final: 0.8695 (tppt) REVERT: TW 9 LYS cc_start: 0.9183 (tptt) cc_final: 0.8938 (tptm) REVERT: TW 12 LYS cc_start: 0.9114 (ttmt) cc_final: 0.8836 (mptt) REVERT: TW 13 ASP cc_start: 0.8670 (m-30) cc_final: 0.8076 (m-30) REVERT: TX 1 MET cc_start: 0.7062 (mtm) cc_final: 0.6811 (mtm) REVERT: TZ 12 LYS cc_start: 0.9118 (tttm) cc_final: 0.8807 (tppt) REVERT: TZ 13 ASP cc_start: 0.9104 (t0) cc_final: 0.8637 (t0) REVERT: T0 12 LYS cc_start: 0.9064 (ttmt) cc_final: 0.8790 (mptt) REVERT: T1 6 LYS cc_start: 0.9298 (ptpt) cc_final: 0.9016 (ptpp) REVERT: T3 12 LYS cc_start: 0.9142 (tttm) cc_final: 0.8820 (tppt) REVERT: T4 9 LYS cc_start: 0.9317 (tptt) cc_final: 0.8947 (tptp) REVERT: T4 13 ASP cc_start: 0.8540 (m-30) cc_final: 0.7729 (m-30) REVERT: T5 21 ASN cc_start: 0.6920 (p0) cc_final: 0.6656 (p0) REVERT: T6 8 PHE cc_start: 0.9038 (m-80) cc_final: 0.8810 (m-80) REVERT: T7 12 LYS cc_start: 0.9174 (tttm) cc_final: 0.8772 (tppt) REVERT: T8 2 GLU cc_start: 0.8697 (tp30) cc_final: 0.8363 (tp30) REVERT: T8 9 LYS cc_start: 0.9192 (tptt) cc_final: 0.8694 (tptm) REVERT: T8 12 LYS cc_start: 0.9148 (ttmt) cc_final: 0.8865 (mptt) REVERT: T8 13 ASP cc_start: 0.8551 (m-30) cc_final: 0.7670 (m-30) REVERT: T9 6 LYS cc_start: 0.9245 (ptmt) cc_final: 0.9001 (ptpp) REVERT: UB 9 LYS cc_start: 0.9119 (tppt) cc_final: 0.8863 (ttmm) REVERT: UB 12 LYS cc_start: 0.9068 (tttm) cc_final: 0.8841 (tppt) REVERT: UB 13 ASP cc_start: 0.8957 (t0) cc_final: 0.8550 (t0) REVERT: UC 12 LYS cc_start: 0.9046 (ttmt) cc_final: 0.8591 (mptt) REVERT: UD 21 ASN cc_start: 0.7052 (p0) cc_final: 0.6751 (p0) REVERT: UE 1 MET cc_start: 0.6897 (ttp) cc_final: 0.6696 (ttm) REVERT: UE 2 GLU cc_start: 0.8492 (tp30) cc_final: 0.8035 (tp30) REVERT: UF 12 LYS cc_start: 0.9351 (tttm) cc_final: 0.8929 (tptt) REVERT: UG 2 GLU cc_start: 0.8864 (tp30) cc_final: 0.8426 (tp30) REVERT: UG 9 LYS cc_start: 0.9181 (tptm) cc_final: 0.8804 (tptt) REVERT: UG 12 LYS cc_start: 0.9115 (ttmt) cc_final: 0.8809 (mptt) REVERT: UH 6 LYS cc_start: 0.9250 (ptmt) cc_final: 0.8906 (ptpp) REVERT: UI 1 MET cc_start: 0.6131 (tmm) cc_final: 0.5705 (tmm) REVERT: UJ 9 LYS cc_start: 0.9185 (tppt) cc_final: 0.8935 (ttmm) REVERT: UK 9 LYS cc_start: 0.9211 (tptt) cc_final: 0.8806 (tptt) REVERT: UL 13 ASP cc_start: 0.8825 (t0) cc_final: 0.8586 (t0) REVERT: UL 15 LEU cc_start: 0.8468 (OUTLIER) cc_final: 0.8231 (tt) REVERT: UL 21 ASN cc_start: 0.7722 (p0) cc_final: 0.7299 (p0) REVERT: UN 12 LYS cc_start: 0.9332 (tttm) cc_final: 0.8909 (tppt) REVERT: UO 1 MET cc_start: 0.4545 (OUTLIER) cc_final: 0.3572 (mmt) REVERT: UP 12 LYS cc_start: 0.9412 (tmmt) cc_final: 0.9086 (tmmt) REVERT: UQ 1 MET cc_start: 0.7312 (ttp) cc_final: 0.6985 (ttm) REVERT: US 9 LYS cc_start: 0.9176 (tptt) cc_final: 0.8797 (tptm) REVERT: US 13 ASP cc_start: 0.8606 (m-30) cc_final: 0.7837 (m-30) REVERT: UT 6 LYS cc_start: 0.9232 (ptmt) cc_final: 0.9007 (ptpp) REVERT: UU 9 LYS cc_start: 0.9280 (tppt) cc_final: 0.9028 (tppt) outliers start: 790 outliers final: 433 residues processed: 6072 average time/residue: 1.3226 time to fit residues: 13766.6885 Evaluate side-chains 5756 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 500 poor density : 5256 time to evaluate : 13.258 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain B residue 11 PHE Chi-restraints excluded: chain C residue 2 GLU Chi-restraints excluded: chain C residue 4 VAL Chi-restraints excluded: chain F residue 15 LEU Chi-restraints excluded: chain G residue 4 VAL Chi-restraints excluded: chain L residue 15 LEU Chi-restraints excluded: chain O residue 4 VAL Chi-restraints excluded: chain Q residue 18 PHE Chi-restraints excluded: chain R residue 11 PHE Chi-restraints excluded: chain R residue 12 LYS Chi-restraints excluded: chain S residue 2 GLU Chi-restraints excluded: chain S residue 4 VAL Chi-restraints excluded: chain T residue 14 LEU Chi-restraints excluded: chain W residue 4 VAL Chi-restraints excluded: chain Y residue 19 LEU Chi-restraints excluded: chain Z residue 22 ASN Chi-restraints excluded: chain 0 residue 4 VAL Chi-restraints excluded: chain 0 residue 19 LEU Chi-restraints excluded: chain 3 residue 11 PHE Chi-restraints excluded: chain 4 residue 2 GLU Chi-restraints excluded: chain 5 residue 14 LEU Chi-restraints excluded: chain 6 residue 19 LEU Chi-restraints excluded: chain 7 residue 22 ASN Chi-restraints excluded: chain 8 residue 1 MET Chi-restraints excluded: chain 8 residue 4 VAL Chi-restraints excluded: chain 9 residue 14 LEU Chi-restraints excluded: chain b residue 11 PHE Chi-restraints excluded: chain d residue 14 LEU Chi-restraints excluded: chain d residue 15 LEU Chi-restraints excluded: chain e residue 11 PHE Chi-restraints excluded: chain k residue 2 GLU Chi-restraints excluded: chain m residue 4 VAL Chi-restraints excluded: chain m residue 15 LEU Chi-restraints excluded: chain n residue 12 LYS Chi-restraints excluded: chain o residue 2 GLU Chi-restraints excluded: chain s residue 2 GLU Chi-restraints excluded: chain s residue 4 VAL Chi-restraints excluded: chain v residue 3 PHE Chi-restraints excluded: chain v residue 11 PHE Chi-restraints excluded: chain w residue 4 VAL Chi-restraints excluded: chain z residue 15 LEU Chi-restraints excluded: chain AA residue 1 MET Chi-restraints excluded: chain AA residue 4 VAL Chi-restraints excluded: chain AB residue 9 LYS Chi-restraints excluded: chain AC residue 13 ASP Chi-restraints excluded: chain AE residue 4 VAL Chi-restraints excluded: chain AG residue 15 LEU Chi-restraints excluded: chain AI residue 4 VAL Chi-restraints excluded: chain AL residue 3 PHE Chi-restraints excluded: chain AM residue 4 VAL Chi-restraints excluded: chain AQ residue 4 VAL Chi-restraints excluded: chain AT residue 3 PHE Chi-restraints excluded: chain AV residue 14 LEU Chi-restraints excluded: chain AW residue 15 LEU Chi-restraints excluded: chain AW residue 18 PHE Chi-restraints excluded: chain AW residue 19 LEU Chi-restraints excluded: chain AX residue 21 ASN Chi-restraints excluded: chain AY residue 4 VAL Chi-restraints excluded: chain AZ residue 14 LEU Chi-restraints excluded: chain A0 residue 15 LEU Chi-restraints excluded: chain A0 residue 19 LEU Chi-restraints excluded: chain A2 residue 4 VAL Chi-restraints excluded: chain A4 residue 15 LEU Chi-restraints excluded: chain A5 residue 11 PHE Chi-restraints excluded: chain A6 residue 4 VAL Chi-restraints excluded: chain BA residue 4 VAL Chi-restraints excluded: chain BC residue 15 LEU Chi-restraints excluded: chain BD residue 11 PHE Chi-restraints excluded: chain BF residue 14 LEU Chi-restraints excluded: chain BG residue 14 LEU Chi-restraints excluded: chain BH residue 11 PHE Chi-restraints excluded: chain BJ residue 14 LEU Chi-restraints excluded: chain BM residue 4 VAL Chi-restraints excluded: chain BN residue 12 LYS Chi-restraints excluded: chain BN residue 14 LEU Chi-restraints excluded: chain BO residue 18 PHE Chi-restraints excluded: chain BQ residue 4 VAL Chi-restraints excluded: chain BR residue 14 LEU Chi-restraints excluded: chain BT residue 14 LEU Chi-restraints excluded: chain BT residue 22 ASN Chi-restraints excluded: chain BU residue 4 VAL Chi-restraints excluded: chain BX residue 9 LYS Chi-restraints excluded: chain BY residue 4 VAL Chi-restraints excluded: chain B6 residue 1 MET Chi-restraints excluded: chain B6 residue 4 VAL Chi-restraints excluded: chain B9 residue 11 PHE Chi-restraints excluded: chain CA residue 4 VAL Chi-restraints excluded: chain CC residue 19 LEU Chi-restraints excluded: chain CE residue 4 VAL Chi-restraints excluded: chain CH residue 3 PHE Chi-restraints excluded: chain CI residue 4 VAL Chi-restraints excluded: chain CL residue 11 PHE Chi-restraints excluded: chain CO residue 17 LYS Chi-restraints excluded: chain CQ residue 4 VAL Chi-restraints excluded: chain CR residue 19 LEU Chi-restraints excluded: chain CU residue 1 MET Chi-restraints excluded: chain CU residue 13 ASP Chi-restraints excluded: chain CU residue 14 LEU Chi-restraints excluded: chain CV residue 14 LEU Chi-restraints excluded: chain CV residue 15 LEU Chi-restraints excluded: chain CX residue 22 ASN Chi-restraints excluded: chain CY residue 4 VAL Chi-restraints excluded: chain CZ residue 14 LEU Chi-restraints excluded: chain C2 residue 4 VAL Chi-restraints excluded: chain C4 residue 15 LEU Chi-restraints excluded: chain C5 residue 11 PHE Chi-restraints excluded: chain C9 residue 11 PHE Chi-restraints excluded: chain DA residue 4 VAL Chi-restraints excluded: chain DA residue 14 LEU Chi-restraints excluded: chain DD residue 11 PHE Chi-restraints excluded: chain DE residue 4 VAL Chi-restraints excluded: chain DI residue 4 VAL Chi-restraints excluded: chain DJ residue 14 LEU Chi-restraints excluded: chain DK residue 15 LEU Chi-restraints excluded: chain DL residue 11 PHE Chi-restraints excluded: chain DL residue 12 LYS Chi-restraints excluded: chain DM residue 4 VAL Chi-restraints excluded: chain DN residue 14 LEU Chi-restraints excluded: chain DQ residue 4 VAL Chi-restraints excluded: chain DT residue 3 PHE Chi-restraints excluded: chain DT residue 11 PHE Chi-restraints excluded: chain DT residue 22 ASN Chi-restraints excluded: chain DU residue 4 VAL Chi-restraints excluded: chain DV residue 14 LEU Chi-restraints excluded: chain D1 residue 22 ASN Chi-restraints excluded: chain D2 residue 13 ASP Chi-restraints excluded: chain D5 residue 14 LEU Chi-restraints excluded: chain D5 residue 21 ASN Chi-restraints excluded: chain D6 residue 4 VAL Chi-restraints excluded: chain D7 residue 15 LEU Chi-restraints excluded: chain EA residue 4 VAL Chi-restraints excluded: chain ED residue 14 LEU Chi-restraints excluded: chain EE residue 4 VAL Chi-restraints excluded: chain EF residue 14 LEU Chi-restraints excluded: chain EI residue 4 VAL Chi-restraints excluded: chain EL residue 3 PHE Chi-restraints excluded: chain EL residue 7 LEU Chi-restraints excluded: chain EL residue 11 PHE Chi-restraints excluded: chain EN residue 19 LEU Chi-restraints excluded: chain EQ residue 1 MET Chi-restraints excluded: chain ER residue 14 LEU Chi-restraints excluded: chain ES residue 15 LEU Chi-restraints excluded: chain EU residue 14 LEU Chi-restraints excluded: chain EV residue 14 LEU Chi-restraints excluded: chain EW residue 19 LEU Chi-restraints excluded: chain EY residue 4 VAL Chi-restraints excluded: chain EY residue 13 ASP Chi-restraints excluded: chain EZ residue 14 LEU Chi-restraints excluded: chain E0 residue 19 LEU Chi-restraints excluded: chain E1 residue 11 PHE Chi-restraints excluded: chain E2 residue 4 VAL Chi-restraints excluded: chain E6 residue 4 VAL Chi-restraints excluded: chain E9 residue 11 PHE Chi-restraints excluded: chain FA residue 4 VAL Chi-restraints excluded: chain FC residue 19 LEU Chi-restraints excluded: chain FE residue 4 VAL Chi-restraints excluded: chain FH residue 11 PHE Chi-restraints excluded: chain FI residue 4 VAL Chi-restraints excluded: chain FK residue 15 LEU Chi-restraints excluded: chain FM residue 4 VAL Chi-restraints excluded: chain FN residue 14 LEU Chi-restraints excluded: chain FO residue 15 LEU Chi-restraints excluded: chain FP residue 11 PHE Chi-restraints excluded: chain FQ residue 4 VAL Chi-restraints excluded: chain FS residue 15 LEU Chi-restraints excluded: chain FU residue 4 VAL Chi-restraints excluded: chain FW residue 15 LEU Chi-restraints excluded: chain FX residue 11 PHE Chi-restraints excluded: chain FY residue 4 VAL Chi-restraints excluded: chain FZ residue 14 LEU Chi-restraints excluded: chain F2 residue 1 MET Chi-restraints excluded: chain F4 residue 15 LEU Chi-restraints excluded: chain F7 residue 14 LEU Chi-restraints excluded: chain GA residue 1 MET Chi-restraints excluded: chain GA residue 13 ASP Chi-restraints excluded: chain GC residue 2 GLU Chi-restraints excluded: chain GE residue 4 VAL Chi-restraints excluded: chain GG residue 17 LYS Chi-restraints excluded: chain GH residue 21 ASN Chi-restraints excluded: chain GM residue 7 LEU Chi-restraints excluded: chain GN residue 14 LEU Chi-restraints excluded: chain GS residue 19 LEU Chi-restraints excluded: chain GT residue 11 PHE Chi-restraints excluded: chain GU residue 4 VAL Chi-restraints excluded: chain GY residue 4 VAL Chi-restraints excluded: chain GZ residue 14 LEU Chi-restraints excluded: chain G0 residue 13 ASP Chi-restraints excluded: chain G1 residue 3 PHE Chi-restraints excluded: chain G2 residue 1 MET Chi-restraints excluded: chain G2 residue 4 VAL Chi-restraints excluded: chain G3 residue 14 LEU Chi-restraints excluded: chain G6 residue 4 VAL Chi-restraints excluded: chain G6 residue 13 ASP Chi-restraints excluded: chain G7 residue 14 LEU Chi-restraints excluded: chain G9 residue 21 ASN Chi-restraints excluded: chain HA residue 4 VAL Chi-restraints excluded: chain HA residue 13 ASP Chi-restraints excluded: chain HB residue 14 LEU Chi-restraints excluded: chain HE residue 1 MET Chi-restraints excluded: chain HE residue 4 VAL Chi-restraints excluded: chain HH residue 11 PHE Chi-restraints excluded: chain HI residue 1 MET Chi-restraints excluded: chain HI residue 4 VAL Chi-restraints excluded: chain HJ residue 14 LEU Chi-restraints excluded: chain HL residue 3 PHE Chi-restraints excluded: chain HM residue 4 VAL Chi-restraints excluded: chain HO residue 15 LEU Chi-restraints excluded: chain HU residue 4 VAL Chi-restraints excluded: chain HW residue 15 LEU Chi-restraints excluded: chain HX residue 11 PHE Chi-restraints excluded: chain HY residue 4 VAL Chi-restraints excluded: chain H0 residue 15 LEU Chi-restraints excluded: chain H3 residue 14 LEU Chi-restraints excluded: chain H3 residue 19 LEU Chi-restraints excluded: chain H5 residue 21 ASN Chi-restraints excluded: chain H6 residue 4 VAL Chi-restraints excluded: chain H9 residue 21 ASN Chi-restraints excluded: chain IA residue 1 MET Chi-restraints excluded: chain IA residue 4 VAL Chi-restraints excluded: chain IC residue 15 LEU Chi-restraints excluded: chain IC residue 18 PHE Chi-restraints excluded: chain ID residue 12 LYS Chi-restraints excluded: chain IF residue 14 LEU Chi-restraints excluded: chain II residue 4 VAL Chi-restraints excluded: chain IK residue 4 VAL Chi-restraints excluded: chain IK residue 15 LEU Chi-restraints excluded: chain IM residue 1 MET Chi-restraints excluded: chain IM residue 4 VAL Chi-restraints excluded: chain IM residue 13 ASP Chi-restraints excluded: chain IN residue 14 LEU Chi-restraints excluded: chain IN residue 19 LEU Chi-restraints excluded: chain IP residue 3 PHE Chi-restraints excluded: chain IP residue 11 PHE Chi-restraints excluded: chain IP residue 14 LEU Chi-restraints excluded: chain IQ residue 4 VAL Chi-restraints excluded: chain IR residue 14 LEU Chi-restraints excluded: chain IU residue 4 VAL Chi-restraints excluded: chain IU residue 13 ASP Chi-restraints excluded: chain IV residue 14 LEU Chi-restraints excluded: chain IY residue 1 MET Chi-restraints excluded: chain I0 residue 15 LEU Chi-restraints excluded: chain I2 residue 4 VAL Chi-restraints excluded: chain I6 residue 4 VAL Chi-restraints excluded: chain I9 residue 22 ASN Chi-restraints excluded: chain JB residue 14 LEU Chi-restraints excluded: chain JD residue 22 ASN Chi-restraints excluded: chain JE residue 4 VAL Chi-restraints excluded: chain JF residue 14 LEU Chi-restraints excluded: chain JG residue 13 ASP Chi-restraints excluded: chain JG residue 15 LEU Chi-restraints excluded: chain JI residue 4 VAL Chi-restraints excluded: chain JL residue 11 PHE Chi-restraints excluded: chain JO residue 15 LEU Chi-restraints excluded: chain JP residue 11 PHE Chi-restraints excluded: chain JQ residue 4 VAL Chi-restraints excluded: chain JT residue 11 PHE Chi-restraints excluded: chain JU residue 4 VAL Chi-restraints excluded: chain JU residue 13 ASP Chi-restraints excluded: chain JV residue 14 LEU Chi-restraints excluded: chain JX residue 12 LYS Chi-restraints excluded: chain JX residue 22 ASN Chi-restraints excluded: chain JY residue 4 VAL Chi-restraints excluded: chain JZ residue 14 LEU Chi-restraints excluded: chain J1 residue 11 PHE Chi-restraints excluded: chain J1 residue 13 ASP Chi-restraints excluded: chain J2 residue 4 VAL Chi-restraints excluded: chain J6 residue 4 VAL Chi-restraints excluded: chain J7 residue 14 LEU Chi-restraints excluded: chain KC residue 15 LEU Chi-restraints excluded: chain KC residue 19 LEU Chi-restraints excluded: chain KH residue 11 PHE Chi-restraints excluded: chain KI residue 4 VAL Chi-restraints excluded: chain KM residue 4 VAL Chi-restraints excluded: chain KO residue 15 LEU Chi-restraints excluded: chain KP residue 15 LEU Chi-restraints excluded: chain KP residue 22 ASN Chi-restraints excluded: chain KQ residue 4 VAL Chi-restraints excluded: chain KR residue 14 LEU Chi-restraints excluded: chain KU residue 4 VAL Chi-restraints excluded: chain K4 residue 15 LEU Chi-restraints excluded: chain K6 residue 4 VAL Chi-restraints excluded: chain K9 residue 11 PHE Chi-restraints excluded: chain K9 residue 22 ASN Chi-restraints excluded: chain LA residue 4 VAL Chi-restraints excluded: chain LB residue 14 LEU Chi-restraints excluded: chain LD residue 14 LEU Chi-restraints excluded: chain LG residue 15 LEU Chi-restraints excluded: chain LI residue 4 VAL Chi-restraints excluded: chain LL residue 11 PHE Chi-restraints excluded: chain LM residue 4 VAL Chi-restraints excluded: chain LM residue 19 LEU Chi-restraints excluded: chain LP residue 14 LEU Chi-restraints excluded: chain LQ residue 4 VAL Chi-restraints excluded: chain LT residue 3 PHE Chi-restraints excluded: chain LU residue 4 VAL Chi-restraints excluded: chain LU residue 15 LEU Chi-restraints excluded: chain LV residue 14 LEU Chi-restraints excluded: chain LZ residue 15 LEU Chi-restraints excluded: chain L0 residue 19 LEU Chi-restraints excluded: chain L2 residue 4 VAL Chi-restraints excluded: chain L6 residue 4 VAL Chi-restraints excluded: chain L8 residue 15 LEU Chi-restraints excluded: chain L8 residue 19 LEU Chi-restraints excluded: chain MA residue 2 GLU Chi-restraints excluded: chain MG residue 1 MET Chi-restraints excluded: chain MG residue 15 LEU Chi-restraints excluded: chain MI residue 4 VAL Chi-restraints excluded: chain MK residue 18 PHE Chi-restraints excluded: chain MK residue 19 LEU Chi-restraints excluded: chain MO residue 19 LEU Chi-restraints excluded: chain MQ residue 1 MET Chi-restraints excluded: chain MQ residue 2 GLU Chi-restraints excluded: chain MQ residue 4 VAL Chi-restraints excluded: chain MS residue 1 MET Chi-restraints excluded: chain MS residue 15 LEU Chi-restraints excluded: chain MU residue 4 VAL Chi-restraints excluded: chain MV residue 14 LEU Chi-restraints excluded: chain MX residue 11 PHE Chi-restraints excluded: chain MY residue 4 VAL Chi-restraints excluded: chain M0 residue 1 MET Chi-restraints excluded: chain M0 residue 15 LEU Chi-restraints excluded: chain M1 residue 13 ASP Chi-restraints excluded: chain M2 residue 4 VAL Chi-restraints excluded: chain M5 residue 3 PHE Chi-restraints excluded: chain M6 residue 14 LEU Chi-restraints excluded: chain M8 residue 14 LEU Chi-restraints excluded: chain M9 residue 3 PHE Chi-restraints excluded: chain NA residue 4 VAL Chi-restraints excluded: chain NI residue 4 VAL Chi-restraints excluded: chain NK residue 15 LEU Chi-restraints excluded: chain NL residue 11 PHE Chi-restraints excluded: chain NM residue 2 GLU Chi-restraints excluded: chain NM residue 4 VAL Chi-restraints excluded: chain NQ residue 4 VAL Chi-restraints excluded: chain NR residue 14 LEU Chi-restraints excluded: chain NS residue 15 LEU Chi-restraints excluded: chain NT residue 11 PHE Chi-restraints excluded: chain NU residue 4 VAL Chi-restraints excluded: chain N1 residue 11 PHE Chi-restraints excluded: chain N2 residue 4 VAL Chi-restraints excluded: chain N3 residue 14 LEU Chi-restraints excluded: chain N3 residue 15 LEU Chi-restraints excluded: chain N4 residue 15 LEU Chi-restraints excluded: chain N6 residue 4 VAL Chi-restraints excluded: chain N9 residue 3 PHE Chi-restraints excluded: chain N9 residue 11 PHE Chi-restraints excluded: chain N9 residue 21 ASN Chi-restraints excluded: chain OA residue 4 VAL Chi-restraints excluded: chain OD residue 13 ASP Chi-restraints excluded: chain OG residue 15 LEU Chi-restraints excluded: chain OH residue 3 PHE Chi-restraints excluded: chain OH residue 22 ASN Chi-restraints excluded: chain OI residue 4 VAL Chi-restraints excluded: chain OK residue 1 MET Chi-restraints excluded: chain OL residue 11 PHE Chi-restraints excluded: chain OM residue 4 VAL Chi-restraints excluded: chain OM residue 13 ASP Chi-restraints excluded: chain OQ residue 4 VAL Chi-restraints excluded: chain OR residue 19 LEU Chi-restraints excluded: chain OT residue 15 LEU Chi-restraints excluded: chain OU residue 4 VAL Chi-restraints excluded: chain OW residue 15 LEU Chi-restraints excluded: chain OX residue 1 MET Chi-restraints excluded: chain OY residue 4 VAL Chi-restraints excluded: chain O1 residue 15 LEU Chi-restraints excluded: chain O2 residue 4 VAL Chi-restraints excluded: chain O4 residue 1 MET Chi-restraints excluded: chain O7 residue 14 LEU Chi-restraints excluded: chain O8 residue 15 LEU Chi-restraints excluded: chain PA residue 4 VAL Chi-restraints excluded: chain PB residue 14 LEU Chi-restraints excluded: chain PD residue 11 PHE Chi-restraints excluded: chain PD residue 22 ASN Chi-restraints excluded: chain PE residue 4 VAL Chi-restraints excluded: chain PE residue 7 LEU Chi-restraints excluded: chain PF residue 14 LEU Chi-restraints excluded: chain PI residue 4 VAL Chi-restraints excluded: chain PJ residue 14 LEU Chi-restraints excluded: chain PL residue 11 PHE Chi-restraints excluded: chain PM residue 4 VAL Chi-restraints excluded: chain PO residue 15 LEU Chi-restraints excluded: chain PQ residue 4 VAL Chi-restraints excluded: chain PS residue 4 VAL Chi-restraints excluded: chain PS residue 18 PHE Chi-restraints excluded: chain PS residue 19 LEU Chi-restraints excluded: chain PU residue 1 MET Chi-restraints excluded: chain PU residue 13 ASP Chi-restraints excluded: chain PW residue 15 LEU Chi-restraints excluded: chain PX residue 11 PHE Chi-restraints excluded: chain PY residue 4 VAL Chi-restraints excluded: chain PZ residue 14 LEU Chi-restraints excluded: chain P0 residue 19 LEU Chi-restraints excluded: chain P1 residue 15 LEU Chi-restraints excluded: chain P1 residue 22 ASN Chi-restraints excluded: chain P2 residue 4 VAL Chi-restraints excluded: chain P6 residue 4 VAL Chi-restraints excluded: chain P6 residue 13 ASP Chi-restraints excluded: chain QA residue 4 VAL Chi-restraints excluded: chain QA residue 13 ASP Chi-restraints excluded: chain QB residue 14 LEU Chi-restraints excluded: chain QC residue 15 LEU Chi-restraints excluded: chain QE residue 4 VAL Chi-restraints excluded: chain QJ residue 14 LEU Chi-restraints excluded: chain QL residue 22 ASN Chi-restraints excluded: chain QN residue 14 LEU Chi-restraints excluded: chain QP residue 15 LEU Chi-restraints excluded: chain QQ residue 4 VAL Chi-restraints excluded: chain QR residue 14 LEU Chi-restraints excluded: chain QR residue 15 LEU Chi-restraints excluded: chain QU residue 4 VAL Chi-restraints excluded: chain QV residue 14 LEU Chi-restraints excluded: chain QW residue 1 MET Chi-restraints excluded: chain QX residue 3 PHE Chi-restraints excluded: chain QX residue 22 ASN Chi-restraints excluded: chain QY residue 4 VAL Chi-restraints excluded: chain Q2 residue 4 VAL Chi-restraints excluded: chain Q3 residue 15 LEU Chi-restraints excluded: chain Q4 residue 15 LEU Chi-restraints excluded: chain Q9 residue 11 PHE Chi-restraints excluded: chain RA residue 4 VAL Chi-restraints excluded: chain RA residue 13 ASP Chi-restraints excluded: chain RH residue 11 PHE Chi-restraints excluded: chain RI residue 4 VAL Chi-restraints excluded: chain RJ residue 14 LEU Chi-restraints excluded: chain RK residue 15 LEU Chi-restraints excluded: chain RK residue 18 PHE Chi-restraints excluded: chain RM residue 7 LEU Chi-restraints excluded: chain RO residue 19 LEU Chi-restraints excluded: chain RQ residue 13 ASP Chi-restraints excluded: chain RW residue 1 MET Chi-restraints excluded: chain RW residue 15 LEU Chi-restraints excluded: chain RY residue 4 VAL Chi-restraints excluded: chain R2 residue 4 VAL Chi-restraints excluded: chain R2 residue 14 LEU Chi-restraints excluded: chain R3 residue 14 LEU Chi-restraints excluded: chain R4 residue 13 ASP Chi-restraints excluded: chain R4 residue 15 LEU Chi-restraints excluded: chain R5 residue 11 PHE Chi-restraints excluded: chain R6 residue 4 VAL Chi-restraints excluded: chain SA residue 13 ASP Chi-restraints excluded: chain SB residue 14 LEU Chi-restraints excluded: chain SD residue 22 ASN Chi-restraints excluded: chain SE residue 1 MET Chi-restraints excluded: chain SE residue 4 VAL Chi-restraints excluded: chain SF residue 14 LEU Chi-restraints excluded: chain SH residue 3 PHE Chi-restraints excluded: chain SI residue 4 VAL Chi-restraints excluded: chain SJ residue 12 LYS Chi-restraints excluded: chain SM residue 4 VAL Chi-restraints excluded: chain SO residue 15 LEU Chi-restraints excluded: chain SP residue 11 PHE Chi-restraints excluded: chain SQ residue 4 VAL Chi-restraints excluded: chain SQ residue 13 ASP Chi-restraints excluded: chain SS residue 19 LEU Chi-restraints excluded: chain SY residue 4 VAL Chi-restraints excluded: chain S1 residue 3 PHE Chi-restraints excluded: chain S2 residue 4 VAL Chi-restraints excluded: chain S4 residue 15 LEU Chi-restraints excluded: chain S4 residue 18 PHE Chi-restraints excluded: chain S6 residue 18 PHE Chi-restraints excluded: chain S7 residue 14 LEU Chi-restraints excluded: chain S8 residue 15 LEU Chi-restraints excluded: chain S9 residue 6 LYS Chi-restraints excluded: chain TA residue 4 VAL Chi-restraints excluded: chain TA residue 13 ASP Chi-restraints excluded: chain TB residue 14 LEU Chi-restraints excluded: chain TD residue 11 PHE Chi-restraints excluded: chain TE residue 4 VAL Chi-restraints excluded: chain TE residue 13 ASP Chi-restraints excluded: chain TJ residue 11 PHE Chi-restraints excluded: chain TM residue 4 VAL Chi-restraints excluded: chain TN residue 14 LEU Chi-restraints excluded: chain TQ residue 4 VAL Chi-restraints excluded: chain TQ residue 13 ASP Chi-restraints excluded: chain TR residue 14 LEU Chi-restraints excluded: chain TT residue 3 PHE Chi-restraints excluded: chain TT residue 22 ASN Chi-restraints excluded: chain TU residue 4 VAL Chi-restraints excluded: chain TV residue 14 LEU Chi-restraints excluded: chain TW residue 1 MET Chi-restraints excluded: chain TX residue 11 PHE Chi-restraints excluded: chain TX residue 22 ASN Chi-restraints excluded: chain TY residue 4 VAL Chi-restraints excluded: chain TZ residue 14 LEU Chi-restraints excluded: chain T2 residue 4 VAL Chi-restraints excluded: chain T3 residue 11 PHE Chi-restraints excluded: chain T5 residue 11 PHE Chi-restraints excluded: chain T9 residue 22 ASN Chi-restraints excluded: chain UA residue 4 VAL Chi-restraints excluded: chain UB residue 11 PHE Chi-restraints excluded: chain UE residue 4 VAL Chi-restraints excluded: chain UH residue 11 PHE Chi-restraints excluded: chain UI residue 4 VAL Chi-restraints excluded: chain UJ residue 15 LEU Chi-restraints excluded: chain UL residue 15 LEU Chi-restraints excluded: chain UO residue 1 MET Chi-restraints excluded: chain UP residue 11 PHE Chi-restraints excluded: chain UQ residue 4 VAL Chi-restraints excluded: chain UT residue 11 PHE Chi-restraints excluded: chain UU residue 4 VAL Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1608 random chunks: chunk 522 optimal weight: 8.9990 chunk 1399 optimal weight: 10.0000 chunk 307 optimal weight: 0.9980 chunk 912 optimal weight: 9.9990 chunk 383 optimal weight: 10.0000 chunk 1555 optimal weight: 5.9990 chunk 1291 optimal weight: 2.9990 chunk 720 optimal weight: 4.9990 chunk 129 optimal weight: 8.9990 chunk 514 optimal weight: 2.9990 chunk 816 optimal weight: 6.9990 overall best weight: 3.5988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** E 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 22 ASN ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CD 22 ASN ** CL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1 22 ASN ** C8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ET 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** GX 22 ASN ** G4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** HP 22 ASN ** H0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ID 22 ASN ** IG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** KD 22 ASN ** KG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K9 22 ASN ** LK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ML 22 ASN ** MS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P1 22 ASN ** QK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q9 22 ASN ** RD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** UD 22 ASN ** UH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8530 moved from start: 0.4002 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.034 146328 Z= 0.205 Angle : 0.720 17.428 191955 Z= 0.318 Chirality : 0.034 0.180 19497 Planarity : 0.002 0.017 22914 Dihedral : 3.703 18.249 16281 Min Nonbonded Distance : 2.197 Molprobity Statistics. All-atom Clashscore : 10.16 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.33 % Favored : 97.67 % Rotamer: Outliers : 4.82 % Allowed : 30.19 % Favored : 64.99 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.77 (0.07), residues: 15477 helix: 0.87 (0.04), residues: 14473 sheet: None (None), residues: 0 loop : -3.83 (0.05), residues: 1004 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.032 0.001 PHEHR 11 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6206 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 707 poor density : 5499 time to evaluate : 13.377 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 6 LYS cc_start: 0.9036 (ttmm) cc_final: 0.8164 (tmtt) REVERT: A 9 LYS cc_start: 0.9301 (tptm) cc_final: 0.8611 (tptp) REVERT: A 13 ASP cc_start: 0.8779 (m-30) cc_final: 0.8015 (m-30) REVERT: A 17 LYS cc_start: 0.9281 (mtpp) cc_final: 0.8632 (pptt) REVERT: B 6 LYS cc_start: 0.9011 (ptmt) cc_final: 0.8665 (pttp) REVERT: C 2 GLU cc_start: 0.7681 (OUTLIER) cc_final: 0.6649 (tm-30) REVERT: D 1 MET cc_start: 0.7022 (ptt) cc_final: 0.4206 (mmt) REVERT: E 6 LYS cc_start: 0.8992 (ttmm) cc_final: 0.8038 (tmtt) REVERT: E 9 LYS cc_start: 0.9116 (tptt) cc_final: 0.8622 (tptp) REVERT: E 13 ASP cc_start: 0.8823 (m-30) cc_final: 0.7630 (m-30) REVERT: E 17 LYS cc_start: 0.9337 (mtpp) cc_final: 0.8636 (pttt) REVERT: F 6 LYS cc_start: 0.8830 (ptmt) cc_final: 0.8347 (pptt) REVERT: F 15 LEU cc_start: 0.8822 (OUTLIER) cc_final: 0.8513 (tp) REVERT: H 1 MET cc_start: 0.6981 (ptt) cc_final: 0.4492 (mmt) REVERT: I 6 LYS cc_start: 0.8985 (ttmm) cc_final: 0.8233 (tmtt) REVERT: I 9 LYS cc_start: 0.9180 (tptt) cc_final: 0.8820 (tptp) REVERT: I 13 ASP cc_start: 0.8837 (m-30) cc_final: 0.8306 (m-30) REVERT: I 17 LYS cc_start: 0.9263 (mtpp) cc_final: 0.8701 (pttt) REVERT: J 1 MET cc_start: 0.7433 (mtm) cc_final: 0.7196 (mtm) REVERT: J 6 LYS cc_start: 0.8740 (ptmt) cc_final: 0.8299 (pttp) REVERT: J 13 ASP cc_start: 0.8774 (t0) cc_final: 0.8539 (t0) REVERT: J 17 LYS cc_start: 0.8862 (ttmm) cc_final: 0.7766 (tmtt) REVERT: K 17 LYS cc_start: 0.8971 (mttt) cc_final: 0.8134 (tttt) REVERT: M 1 MET cc_start: 0.7748 (pmm) cc_final: 0.7359 (pmm) REVERT: M 6 LYS cc_start: 0.9069 (ttmm) cc_final: 0.8121 (tmtt) REVERT: M 17 LYS cc_start: 0.9266 (mtpp) cc_final: 0.8825 (pttt) REVERT: N 6 LYS cc_start: 0.9032 (ptmt) cc_final: 0.8515 (pttp) REVERT: N 12 LYS cc_start: 0.9308 (tmmt) cc_final: 0.8954 (tmmt) REVERT: P 1 MET cc_start: 0.7326 (ptt) cc_final: 0.5007 (mmt) REVERT: Q 6 LYS cc_start: 0.9007 (ttmm) cc_final: 0.7951 (tmtt) REVERT: Q 9 LYS cc_start: 0.9209 (tptt) cc_final: 0.8942 (tptm) REVERT: Q 13 ASP cc_start: 0.8714 (m-30) cc_final: 0.7875 (m-30) REVERT: Q 17 LYS cc_start: 0.9187 (mtpp) cc_final: 0.8688 (pttt) REVERT: R 6 LYS cc_start: 0.8965 (ptmt) cc_final: 0.8605 (pttp) REVERT: T 1 MET cc_start: 0.7318 (ptt) cc_final: 0.5019 (mmt) REVERT: T 12 LYS cc_start: 0.9282 (tttm) cc_final: 0.8977 (tppt) REVERT: U 6 LYS cc_start: 0.8954 (ttmm) cc_final: 0.8000 (tmtt) REVERT: U 9 LYS cc_start: 0.9267 (tptm) cc_final: 0.8815 (tptt) REVERT: U 17 LYS cc_start: 0.9222 (mtpp) cc_final: 0.8741 (pttt) REVERT: V 6 LYS cc_start: 0.9087 (ptmt) cc_final: 0.8714 (pttp) REVERT: W 1 MET cc_start: 0.7322 (tmm) cc_final: 0.6875 (tmm) REVERT: W 17 LYS cc_start: 0.8900 (mttt) cc_final: 0.8138 (tmtt) REVERT: X 1 MET cc_start: 0.7196 (ptp) cc_final: 0.4838 (mmt) REVERT: Y 6 LYS cc_start: 0.8986 (ttmm) cc_final: 0.8220 (tmtt) REVERT: Y 9 LYS cc_start: 0.9148 (tptt) cc_final: 0.8808 (tptt) REVERT: Y 17 LYS cc_start: 0.9329 (mtpp) cc_final: 0.8733 (pttp) REVERT: Y 19 LEU cc_start: 0.8540 (OUTLIER) cc_final: 0.8214 (tt) REVERT: Z 1 MET cc_start: 0.7649 (mtm) cc_final: 0.7314 (mtm) REVERT: Z 6 LYS cc_start: 0.8731 (ptmt) cc_final: 0.8115 (pptt) REVERT: 0 17 LYS cc_start: 0.8882 (mttt) cc_final: 0.7923 (tmtt) REVERT: 1 12 LYS cc_start: 0.9280 (tttm) cc_final: 0.8901 (tptp) REVERT: 2 6 LYS cc_start: 0.9028 (ttmm) cc_final: 0.7986 (tmtt) REVERT: 2 9 LYS cc_start: 0.9049 (tptp) cc_final: 0.8837 (tptp) REVERT: 2 13 ASP cc_start: 0.8619 (m-30) cc_final: 0.8193 (m-30) REVERT: 2 17 LYS cc_start: 0.9223 (mtpp) cc_final: 0.8714 (pttt) REVERT: 3 6 LYS cc_start: 0.8921 (ptmt) cc_final: 0.8641 (ptmm) REVERT: 5 1 MET cc_start: 0.6628 (ptt) cc_final: 0.4398 (mmt) REVERT: 6 1 MET cc_start: 0.7671 (pmm) cc_final: 0.7190 (pmm) REVERT: 6 6 LYS cc_start: 0.8897 (ttmm) cc_final: 0.8172 (tmtt) REVERT: 6 9 LYS cc_start: 0.9291 (tptm) cc_final: 0.8931 (tptt) REVERT: 6 17 LYS cc_start: 0.9294 (mtpp) cc_final: 0.8950 (pttt) REVERT: 6 19 LEU cc_start: 0.8215 (OUTLIER) cc_final: 0.7923 (tt) REVERT: 7 6 LYS cc_start: 0.8976 (ptmt) cc_final: 0.8580 (pttp) REVERT: 8 17 LYS cc_start: 0.9033 (mttt) cc_final: 0.8189 (tmtt) REVERT: a 6 LYS cc_start: 0.8954 (ttmm) cc_final: 0.8078 (tmtt) REVERT: a 9 LYS cc_start: 0.9280 (tptm) cc_final: 0.8738 (tptp) REVERT: a 13 ASP cc_start: 0.8706 (m-30) cc_final: 0.8165 (m-30) REVERT: a 17 LYS cc_start: 0.9221 (mtpp) cc_final: 0.8704 (pptt) REVERT: b 6 LYS cc_start: 0.8691 (ptmt) cc_final: 0.8270 (ptmm) REVERT: b 12 LYS cc_start: 0.9377 (tmmt) cc_final: 0.9146 (tmmt) REVERT: c 17 LYS cc_start: 0.9116 (mttt) cc_final: 0.8032 (tmtt) REVERT: d 1 MET cc_start: 0.7513 (ptp) cc_final: 0.5561 (mmt) REVERT: d 12 LYS cc_start: 0.9300 (tmmt) cc_final: 0.8823 (tppt) REVERT: e 6 LYS cc_start: 0.8909 (ttmm) cc_final: 0.8050 (tmtt) REVERT: e 9 LYS cc_start: 0.9224 (tptm) cc_final: 0.8913 (tptt) REVERT: e 17 LYS cc_start: 0.9322 (mtpp) cc_final: 0.8815 (pttt) REVERT: f 6 LYS cc_start: 0.8746 (ptmt) cc_final: 0.8383 (pttp) REVERT: h 1 MET cc_start: 0.6513 (ptt) cc_final: 0.5172 (mmt) REVERT: h 12 LYS cc_start: 0.9251 (ttpt) cc_final: 0.8703 (tppt) REVERT: i 6 LYS cc_start: 0.8949 (ttmm) cc_final: 0.8181 (tmtt) REVERT: i 9 LYS cc_start: 0.9193 (tptm) cc_final: 0.8739 (tptt) REVERT: i 13 ASP cc_start: 0.8869 (m-30) cc_final: 0.8259 (m-30) REVERT: i 17 LYS cc_start: 0.9362 (mtpp) cc_final: 0.8729 (pttt) REVERT: j 6 LYS cc_start: 0.8977 (ptmt) cc_final: 0.8418 (pptt) REVERT: j 12 LYS cc_start: 0.9289 (tmmt) cc_final: 0.9002 (tmmt) REVERT: k 2 GLU cc_start: 0.7690 (OUTLIER) cc_final: 0.6717 (tm-30) REVERT: k 17 LYS cc_start: 0.8997 (mttt) cc_final: 0.8215 (tmtt) REVERT: l 12 LYS cc_start: 0.9208 (ttpt) cc_final: 0.8481 (tptp) REVERT: m 6 LYS cc_start: 0.8984 (ttmm) cc_final: 0.8078 (tmtt) REVERT: m 9 LYS cc_start: 0.9334 (tptt) cc_final: 0.8966 (tptt) REVERT: m 17 LYS cc_start: 0.9239 (mtpp) cc_final: 0.8780 (pttt) REVERT: n 1 MET cc_start: 0.7360 (mtm) cc_final: 0.7154 (mtp) REVERT: n 6 LYS cc_start: 0.8838 (ptmt) cc_final: 0.8230 (tmtt) REVERT: n 17 LYS cc_start: 0.8966 (ttmm) cc_final: 0.8046 (tmtt) REVERT: o 1 MET cc_start: 0.7425 (tmm) cc_final: 0.6934 (tmm) REVERT: p 1 MET cc_start: 0.7916 (ptm) cc_final: 0.7515 (ptm) REVERT: q 9 LYS cc_start: 0.9111 (tptt) cc_final: 0.8742 (tptp) REVERT: q 13 ASP cc_start: 0.8791 (m-30) cc_final: 0.7855 (m-30) REVERT: r 6 LYS cc_start: 0.9267 (ptpt) cc_final: 0.8999 (ptpp) REVERT: r 12 LYS cc_start: 0.9385 (tmmt) cc_final: 0.9103 (tmmt) REVERT: t 1 MET cc_start: 0.7284 (ptt) cc_final: 0.6940 (ptm) REVERT: t 2 GLU cc_start: 0.8327 (pm20) cc_final: 0.8083 (pm20) REVERT: u 2 GLU cc_start: 0.9016 (tp30) cc_final: 0.8515 (tp30) REVERT: u 6 LYS cc_start: 0.9350 (mmtt) cc_final: 0.8958 (mmtp) REVERT: u 9 LYS cc_start: 0.9260 (tptm) cc_final: 0.8915 (tptm) REVERT: v 1 MET cc_start: 0.7248 (mtm) cc_final: 0.6993 (mtm) REVERT: v 6 LYS cc_start: 0.9293 (ptmt) cc_final: 0.8942 (ptpp) REVERT: v 13 ASP cc_start: 0.8808 (t0) cc_final: 0.8501 (t70) REVERT: v 21 ASN cc_start: 0.7444 (p0) cc_final: 0.7138 (p0) REVERT: y 2 GLU cc_start: 0.8910 (tp30) cc_final: 0.8540 (tp30) REVERT: y 9 LYS cc_start: 0.9175 (tptm) cc_final: 0.8774 (tptm) REVERT: y 13 ASP cc_start: 0.8695 (m-30) cc_final: 0.8171 (m-30) REVERT: z 6 LYS cc_start: 0.9335 (ptmt) cc_final: 0.9028 (ptpp) REVERT: z 15 LEU cc_start: 0.8907 (OUTLIER) cc_final: 0.8684 (tt) REVERT: AC 9 LYS cc_start: 0.9237 (tptm) cc_final: 0.8928 (tptm) REVERT: AC 13 ASP cc_start: 0.8831 (m-30) cc_final: 0.8549 (m-30) REVERT: AG 1 MET cc_start: 0.7553 (pmm) cc_final: 0.7150 (pmm) REVERT: AG 9 LYS cc_start: 0.9264 (tptm) cc_final: 0.8920 (tppt) REVERT: AH 6 LYS cc_start: 0.9352 (ptmt) cc_final: 0.8934 (ptmt) REVERT: AJ 2 GLU cc_start: 0.8518 (pm20) cc_final: 0.8280 (pm20) REVERT: AJ 13 ASP cc_start: 0.8930 (t0) cc_final: 0.8342 (t0) REVERT: AK 1 MET cc_start: 0.7553 (pmm) cc_final: 0.6295 (pmm) REVERT: AK 2 GLU cc_start: 0.8973 (tp30) cc_final: 0.8576 (tp30) REVERT: AK 6 LYS cc_start: 0.9352 (mmtt) cc_final: 0.9098 (mmtt) REVERT: AK 9 LYS cc_start: 0.9282 (tptm) cc_final: 0.8666 (tptm) REVERT: AK 13 ASP cc_start: 0.8665 (m-30) cc_final: 0.8033 (m-30) REVERT: AN 1 MET cc_start: 0.7868 (ptm) cc_final: 0.7593 (ptm) REVERT: AO 1 MET cc_start: 0.7523 (pmm) cc_final: 0.7266 (pmm) REVERT: AO 9 LYS cc_start: 0.9411 (tppt) cc_final: 0.9103 (tppt) REVERT: AO 13 ASP cc_start: 0.8996 (m-30) cc_final: 0.8631 (m-30) REVERT: AO 17 LYS cc_start: 0.9113 (mtpt) cc_final: 0.8694 (mtpt) REVERT: AO 19 LEU cc_start: 0.8335 (OUTLIER) cc_final: 0.8074 (tt) REVERT: AP 6 LYS cc_start: 0.9289 (ptpt) cc_final: 0.9023 (ptpp) REVERT: AQ 1 MET cc_start: 0.7988 (OUTLIER) cc_final: 0.5563 (mpp) REVERT: AS 2 GLU cc_start: 0.8983 (tp30) cc_final: 0.8632 (tp30) REVERT: AS 6 LYS cc_start: 0.9229 (mmmt) cc_final: 0.8975 (mmmt) REVERT: AS 9 LYS cc_start: 0.9148 (tptt) cc_final: 0.8702 (tptm) REVERT: AS 13 ASP cc_start: 0.8628 (m-30) cc_final: 0.7946 (m-30) REVERT: AT 6 LYS cc_start: 0.9288 (ptmt) cc_final: 0.9011 (ptpp) REVERT: AW 2 GLU cc_start: 0.8829 (tp30) cc_final: 0.8220 (tp30) REVERT: AW 6 LYS cc_start: 0.9337 (mttm) cc_final: 0.8943 (mttm) REVERT: AW 9 LYS cc_start: 0.9240 (tptm) cc_final: 0.8466 (tptt) REVERT: AW 13 ASP cc_start: 0.8692 (m-30) cc_final: 0.7773 (m-30) REVERT: AX 6 LYS cc_start: 0.9290 (ptmt) cc_final: 0.8994 (ptpp) REVERT: AX 21 ASN cc_start: 0.7280 (OUTLIER) cc_final: 0.6829 (p0) REVERT: AY 1 MET cc_start: 0.6702 (tmm) cc_final: 0.6489 (tmm) REVERT: A0 9 LYS cc_start: 0.9183 (tptt) cc_final: 0.8604 (tptm) REVERT: A0 13 ASP cc_start: 0.8589 (m-30) cc_final: 0.7630 (m-30) REVERT: A0 15 LEU cc_start: 0.8323 (OUTLIER) cc_final: 0.8029 (tp) REVERT: A0 19 LEU cc_start: 0.8149 (OUTLIER) cc_final: 0.7919 (tt) REVERT: A1 21 ASN cc_start: 0.7659 (p0) cc_final: 0.7370 (p0) REVERT: A2 1 MET cc_start: 0.7340 (tmm) cc_final: 0.7084 (tmm) REVERT: A3 2 GLU cc_start: 0.8500 (pm20) cc_final: 0.8167 (pm20) REVERT: A4 2 GLU cc_start: 0.8808 (tp30) cc_final: 0.8304 (tp30) REVERT: A4 9 LYS cc_start: 0.9136 (tptt) cc_final: 0.8565 (tptp) REVERT: A4 13 ASP cc_start: 0.8655 (m-30) cc_final: 0.7775 (m-30) REVERT: A5 13 ASP cc_start: 0.8795 (t0) cc_final: 0.8574 (t0) REVERT: A8 6 LYS cc_start: 0.9162 (mmtm) cc_final: 0.8706 (mmtm) REVERT: A8 9 LYS cc_start: 0.9159 (tptt) cc_final: 0.8555 (tptm) REVERT: A8 13 ASP cc_start: 0.8823 (m-30) cc_final: 0.7768 (m-30) REVERT: A9 6 LYS cc_start: 0.9379 (ptmt) cc_final: 0.8969 (ptpp) REVERT: BB 6 LYS cc_start: 0.9178 (ttmm) cc_final: 0.8843 (mtmm) REVERT: BC 9 LYS cc_start: 0.9256 (tptt) cc_final: 0.8776 (tptm) REVERT: BC 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.7912 (m-30) REVERT: BD 11 PHE cc_start: 0.9006 (OUTLIER) cc_final: 0.8768 (m-10) REVERT: BE 1 MET cc_start: 0.7569 (tmm) cc_final: 0.6140 (mpp) REVERT: BF 12 LYS cc_start: 0.9210 (ttpt) cc_final: 0.8621 (tppt) REVERT: BG 13 ASP cc_start: 0.8606 (m-30) cc_final: 0.8220 (m-30) REVERT: BJ 2 GLU cc_start: 0.8571 (pm20) cc_final: 0.8360 (pm20) REVERT: BJ 12 LYS cc_start: 0.9281 (ttpt) cc_final: 0.8637 (tptp) REVERT: BK 2 GLU cc_start: 0.8712 (tp30) cc_final: 0.8475 (tp30) REVERT: BK 13 ASP cc_start: 0.8586 (m-30) cc_final: 0.8122 (m-30) REVERT: BL 21 ASN cc_start: 0.7552 (p0) cc_final: 0.7283 (p0) REVERT: BM 1 MET cc_start: 0.7227 (tpp) cc_final: 0.6971 (tpp) REVERT: BP 6 LYS cc_start: 0.9182 (ptpp) cc_final: 0.8928 (ptmm) REVERT: BP 13 ASP cc_start: 0.8591 (t70) cc_final: 0.8368 (t0) REVERT: BR 12 LYS cc_start: 0.9232 (ttpt) cc_final: 0.8912 (tppt) REVERT: BS 9 LYS cc_start: 0.9197 (tppp) cc_final: 0.8765 (tptm) REVERT: BS 13 ASP cc_start: 0.8597 (m-30) cc_final: 0.8184 (m-30) REVERT: BT 6 LYS cc_start: 0.9345 (ptmt) cc_final: 0.9046 (ptpp) REVERT: BW 9 LYS cc_start: 0.9144 (tptt) cc_final: 0.8733 (tptt) REVERT: BX 6 LYS cc_start: 0.9311 (ptpt) cc_final: 0.9082 (ptpp) REVERT: BX 9 LYS cc_start: 0.9359 (OUTLIER) cc_final: 0.9069 (ttpt) REVERT: BX 12 LYS cc_start: 0.9353 (tmmt) cc_final: 0.9072 (tmmt) REVERT: BY 1 MET cc_start: 0.6926 (tmm) cc_final: 0.6339 (tmm) REVERT: BZ 12 LYS cc_start: 0.9064 (tptm) cc_final: 0.8453 (tptp) REVERT: B0 2 GLU cc_start: 0.8908 (tp30) cc_final: 0.8597 (tp30) REVERT: B0 6 LYS cc_start: 0.9184 (mttm) cc_final: 0.8981 (mtpp) REVERT: B0 9 LYS cc_start: 0.9265 (tptt) cc_final: 0.8703 (tptp) REVERT: B0 13 ASP cc_start: 0.8708 (m-30) cc_final: 0.7950 (m-30) REVERT: B0 17 LYS cc_start: 0.9062 (mtpp) cc_final: 0.8612 (mtpt) REVERT: B1 21 ASN cc_start: 0.7436 (p0) cc_final: 0.7101 (p0) REVERT: B4 13 ASP cc_start: 0.8705 (m-30) cc_final: 0.8383 (m-30) REVERT: B8 9 LYS cc_start: 0.9193 (tptm) cc_final: 0.8621 (tptp) REVERT: B9 17 LYS cc_start: 0.8986 (ttmm) cc_final: 0.8699 (mmmm) REVERT: B9 18 PHE cc_start: 0.8520 (t80) cc_final: 0.8193 (t80) REVERT: CC 2 GLU cc_start: 0.8828 (tp30) cc_final: 0.8529 (tp30) REVERT: CC 6 LYS cc_start: 0.9341 (mmtm) cc_final: 0.9035 (mmtm) REVERT: CC 9 LYS cc_start: 0.9231 (tptm) cc_final: 0.8943 (tptm) REVERT: CC 13 ASP cc_start: 0.8577 (m-30) cc_final: 0.8193 (m-30) REVERT: CC 19 LEU cc_start: 0.8151 (OUTLIER) cc_final: 0.7907 (tt) REVERT: CD 6 LYS cc_start: 0.9240 (ptmt) cc_final: 0.8968 (ptpp) REVERT: CD 13 ASP cc_start: 0.8822 (t0) cc_final: 0.8621 (t70) REVERT: CG 2 GLU cc_start: 0.8818 (tp30) cc_final: 0.8139 (tp30) REVERT: CG 6 LYS cc_start: 0.9363 (mmtt) cc_final: 0.9015 (mmtt) REVERT: CG 9 LYS cc_start: 0.9127 (tptt) cc_final: 0.8716 (tptm) REVERT: CG 13 ASP cc_start: 0.8784 (m-30) cc_final: 0.8120 (m-30) REVERT: CH 1 MET cc_start: 0.7028 (mtm) cc_final: 0.6708 (mtm) REVERT: CH 12 LYS cc_start: 0.9323 (tmmt) cc_final: 0.9021 (tmmt) REVERT: CK 9 LYS cc_start: 0.9249 (tptm) cc_final: 0.8563 (tptm) REVERT: CK 13 ASP cc_start: 0.8703 (m-30) cc_final: 0.8087 (m-30) REVERT: CL 12 LYS cc_start: 0.9302 (tmmt) cc_final: 0.8951 (tmmt) REVERT: CO 9 LYS cc_start: 0.9205 (tptt) cc_final: 0.8833 (tptp) REVERT: CO 13 ASP cc_start: 0.8741 (m-30) cc_final: 0.7966 (m-30) REVERT: CP 6 LYS cc_start: 0.9208 (ptpt) cc_final: 0.8874 (ptpp) REVERT: CP 13 ASP cc_start: 0.8848 (t0) cc_final: 0.8536 (t0) REVERT: CR 12 LYS cc_start: 0.9259 (tttt) cc_final: 0.8855 (tppt) REVERT: CS 2 GLU cc_start: 0.8837 (tp30) cc_final: 0.8050 (tp30) REVERT: CS 6 LYS cc_start: 0.9374 (mmtm) cc_final: 0.8837 (mmtt) REVERT: CS 9 LYS cc_start: 0.9317 (tptt) cc_final: 0.9102 (tptm) REVERT: CT 21 ASN cc_start: 0.7677 (p0) cc_final: 0.7403 (p0) REVERT: CX 6 LYS cc_start: 0.9305 (ptmt) cc_final: 0.8951 (ptpp) REVERT: CX 12 LYS cc_start: 0.9225 (tmmt) cc_final: 0.8997 (tmmt) REVERT: C0 2 GLU cc_start: 0.8829 (tp30) cc_final: 0.8566 (tp30) REVERT: C0 6 LYS cc_start: 0.9350 (mttm) cc_final: 0.9051 (mttm) REVERT: C1 12 LYS cc_start: 0.9280 (tmmt) cc_final: 0.8973 (tmmt) REVERT: C2 1 MET cc_start: 0.8114 (tmm) cc_final: 0.6072 (mtm) REVERT: C5 6 LYS cc_start: 0.9268 (ptpt) cc_final: 0.8845 (ptpp) REVERT: C5 12 LYS cc_start: 0.9334 (tmmt) cc_final: 0.9060 (tmmt) REVERT: C7 13 ASP cc_start: 0.8902 (t0) cc_final: 0.8470 (t0) REVERT: C8 6 LYS cc_start: 0.9196 (mmtp) cc_final: 0.8931 (mmtp) REVERT: C8 17 LYS cc_start: 0.9172 (mtpt) cc_final: 0.8847 (mtpp) REVERT: C9 12 LYS cc_start: 0.9220 (tmmt) cc_final: 0.8956 (tmmt) REVERT: C9 21 ASN cc_start: 0.7613 (p0) cc_final: 0.7239 (p0) REVERT: DA 1 MET cc_start: 0.7684 (tmm) cc_final: 0.7447 (tmm) REVERT: DB 2 GLU cc_start: 0.8438 (pm20) cc_final: 0.8107 (pm20) REVERT: DC 2 GLU cc_start: 0.8620 (tp30) cc_final: 0.8320 (tp30) REVERT: DC 6 LYS cc_start: 0.9031 (mmtm) cc_final: 0.8772 (mmtm) REVERT: DC 9 LYS cc_start: 0.9198 (tptt) cc_final: 0.8816 (tptp) REVERT: DC 13 ASP cc_start: 0.8763 (m-30) cc_final: 0.8190 (m-30) REVERT: DD 6 LYS cc_start: 0.9317 (ptmt) cc_final: 0.9022 (ptpp) REVERT: DD 13 ASP cc_start: 0.8711 (t0) cc_final: 0.8464 (t0) REVERT: DE 1 MET cc_start: 0.7361 (tmm) cc_final: 0.7047 (tmm) REVERT: DE 9 LYS cc_start: 0.9304 (tppt) cc_final: 0.9023 (tppt) REVERT: DF 15 LEU cc_start: 0.9635 (tp) cc_final: 0.9222 (tp) REVERT: DG 9 LYS cc_start: 0.9211 (tptt) cc_final: 0.8851 (tptt) REVERT: DH 1 MET cc_start: 0.7208 (mtm) cc_final: 0.6986 (mtm) REVERT: DK 1 MET cc_start: 0.7941 (pmm) cc_final: 0.6555 (pmm) REVERT: DK 2 GLU cc_start: 0.8912 (tp30) cc_final: 0.8486 (tp30) REVERT: DL 1 MET cc_start: 0.7187 (mtm) cc_final: 0.6715 (mtm) REVERT: DN 1 MET cc_start: 0.7241 (ptt) cc_final: 0.6647 (ptm) REVERT: DN 2 GLU cc_start: 0.8436 (pm20) cc_final: 0.8171 (pm20) REVERT: DO 9 LYS cc_start: 0.9215 (tptm) cc_final: 0.8594 (tptm) REVERT: DO 13 ASP cc_start: 0.8534 (m-30) cc_final: 0.7376 (m-30) REVERT: DP 6 LYS cc_start: 0.9387 (ptmt) cc_final: 0.9095 (ptpp) REVERT: DP 12 LYS cc_start: 0.9278 (tmmt) cc_final: 0.8883 (tmmt) REVERT: DQ 1 MET cc_start: 0.7225 (ttp) cc_final: 0.6546 (tmm) REVERT: DR 1 MET cc_start: 0.7101 (ptt) cc_final: 0.6863 (ptm) REVERT: DR 12 LYS cc_start: 0.9302 (ttpt) cc_final: 0.8798 (tptp) REVERT: DS 2 GLU cc_start: 0.8785 (tp30) cc_final: 0.8392 (tp30) REVERT: DS 9 LYS cc_start: 0.9075 (tptt) cc_final: 0.8422 (tptp) REVERT: DS 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.7429 (m-30) REVERT: DT 6 LYS cc_start: 0.9165 (ptmt) cc_final: 0.8868 (pttt) REVERT: DV 2 GLU cc_start: 0.8248 (pm20) cc_final: 0.7964 (pm20) REVERT: DW 9 LYS cc_start: 0.9104 (tptm) cc_final: 0.8658 (tptp) REVERT: DX 1 MET cc_start: 0.7250 (mtm) cc_final: 0.6997 (mtm) REVERT: DX 6 LYS cc_start: 0.9231 (ptpt) cc_final: 0.8873 (ptpp) REVERT: DX 13 ASP cc_start: 0.8767 (t0) cc_final: 0.8388 (t0) REVERT: DX 21 ASN cc_start: 0.7914 (p0) cc_final: 0.7578 (p0) REVERT: D0 18 PHE cc_start: 0.8792 (OUTLIER) cc_final: 0.8305 (t80) REVERT: D2 1 MET cc_start: 0.7498 (tmm) cc_final: 0.7253 (tmm) REVERT: D2 13 ASP cc_start: 0.8377 (OUTLIER) cc_final: 0.8147 (p0) REVERT: D4 9 LYS cc_start: 0.9272 (tptt) cc_final: 0.9003 (tptm) REVERT: D4 13 ASP cc_start: 0.8709 (m-30) cc_final: 0.8202 (m-30) REVERT: D5 1 MET cc_start: 0.7415 (mtm) cc_final: 0.7143 (mtm) REVERT: D5 21 ASN cc_start: 0.7498 (OUTLIER) cc_final: 0.7060 (p0) REVERT: D6 1 MET cc_start: 0.7208 (tmm) cc_final: 0.6130 (mtt) REVERT: D7 13 ASP cc_start: 0.8971 (t0) cc_final: 0.8569 (t0) REVERT: D8 9 LYS cc_start: 0.9231 (tptm) cc_final: 0.8978 (tptm) REVERT: D9 6 LYS cc_start: 0.9124 (ptpt) cc_final: 0.8845 (ptmm) REVERT: EA 1 MET cc_start: 0.6482 (tpp) cc_final: 0.6011 (tpp) REVERT: EC 9 LYS cc_start: 0.9296 (tptm) cc_final: 0.8625 (tptm) REVERT: EC 13 ASP cc_start: 0.8881 (m-30) cc_final: 0.8321 (m-30) REVERT: EG 9 LYS cc_start: 0.9295 (tptt) cc_final: 0.8732 (tptm) REVERT: EG 13 ASP cc_start: 0.8757 (m-30) cc_final: 0.7842 (m-30) REVERT: EG 17 LYS cc_start: 0.8942 (mtpt) cc_final: 0.8434 (mtpp) REVERT: EH 6 LYS cc_start: 0.9280 (ptmt) cc_final: 0.8995 (ptpp) REVERT: EI 1 MET cc_start: 0.6998 (ttp) cc_final: 0.5921 (mpp) REVERT: EK 6 LYS cc_start: 0.9386 (mmtt) cc_final: 0.9140 (mmtm) REVERT: EK 9 LYS cc_start: 0.9096 (tptm) cc_final: 0.8827 (tptt) REVERT: EK 13 ASP cc_start: 0.8438 (m-30) cc_final: 0.7530 (m-30) REVERT: EL 12 LYS cc_start: 0.9327 (ttpt) cc_final: 0.9074 (tmmt) REVERT: EN 2 GLU cc_start: 0.8399 (pm20) cc_final: 0.8058 (pm20) REVERT: EN 12 LYS cc_start: 0.9231 (ttpt) cc_final: 0.8720 (tptp) REVERT: EO 1 MET cc_start: 0.7217 (pmm) cc_final: 0.6986 (ptp) REVERT: EO 9 LYS cc_start: 0.9277 (tptm) cc_final: 0.8967 (tptm) REVERT: EP 1 MET cc_start: 0.7081 (mtm) cc_final: 0.6849 (mtm) REVERT: EP 6 LYS cc_start: 0.9228 (ptmt) cc_final: 0.8907 (ptpp) REVERT: EQ 13 ASP cc_start: 0.8995 (t70) cc_final: 0.8773 (t0) REVERT: ER 1 MET cc_start: 0.7003 (ptt) cc_final: 0.6750 (ptt) REVERT: ES 9 LYS cc_start: 0.9130 (tptm) cc_final: 0.8636 (tptm) REVERT: ET 12 LYS cc_start: 0.9348 (tmmt) cc_final: 0.9125 (tmmt) REVERT: EV 12 LYS cc_start: 0.9297 (tttm) cc_final: 0.8749 (tptp) REVERT: EX 13 ASP cc_start: 0.8782 (t0) cc_final: 0.8420 (t0) REVERT: EY 9 LYS cc_start: 0.9256 (tppt) cc_final: 0.9026 (tppt) REVERT: EY 13 ASP cc_start: 0.8585 (OUTLIER) cc_final: 0.8262 (p0) REVERT: EZ 12 LYS cc_start: 0.9279 (tttt) cc_final: 0.8694 (tptp) REVERT: E1 6 LYS cc_start: 0.9338 (ptmt) cc_final: 0.8903 (ptmt) REVERT: E4 1 MET cc_start: 0.7417 (pmm) cc_final: 0.6253 (pmm) REVERT: E4 2 GLU cc_start: 0.8878 (tp30) cc_final: 0.8041 (tp30) REVERT: E4 9 LYS cc_start: 0.9203 (tptm) cc_final: 0.8691 (tptt) REVERT: E4 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.7988 (m-30) REVERT: E5 1 MET cc_start: 0.7110 (mtm) cc_final: 0.6797 (mtm) REVERT: E5 6 LYS cc_start: 0.9350 (ptmt) cc_final: 0.9007 (ptpp) REVERT: E7 13 ASP cc_start: 0.8949 (t0) cc_final: 0.8696 (t0) REVERT: E8 9 LYS cc_start: 0.9230 (tptt) cc_final: 0.8891 (tptm) REVERT: E8 13 ASP cc_start: 0.8509 (m-30) cc_final: 0.7877 (m-30) REVERT: FA 1 MET cc_start: 0.6402 (ttm) cc_final: 0.6183 (ttt) REVERT: FC 2 GLU cc_start: 0.8802 (tp30) cc_final: 0.8477 (tp30) REVERT: FC 6 LYS cc_start: 0.9279 (mmtm) cc_final: 0.8872 (mttm) REVERT: FC 9 LYS cc_start: 0.9115 (tptt) cc_final: 0.8437 (tptp) REVERT: FC 13 ASP cc_start: 0.8482 (m-30) cc_final: 0.6901 (m-30) REVERT: FC 19 LEU cc_start: 0.8020 (OUTLIER) cc_final: 0.7764 (tt) REVERT: FD 6 LYS cc_start: 0.9268 (ptmt) cc_final: 0.8952 (ptpp) REVERT: FF 1 MET cc_start: 0.7056 (ptt) cc_final: 0.6591 (ptm) REVERT: FF 12 LYS cc_start: 0.9176 (tttt) cc_final: 0.8716 (tptp) REVERT: FG 13 ASP cc_start: 0.8773 (m-30) cc_final: 0.8540 (m-30) REVERT: FH 6 LYS cc_start: 0.9342 (ptmt) cc_final: 0.8972 (ptpp) REVERT: FH 12 LYS cc_start: 0.9191 (tmmt) cc_final: 0.8974 (tmmt) REVERT: FL 6 LYS cc_start: 0.9348 (ptmt) cc_final: 0.8990 (ptmt) REVERT: FO 2 GLU cc_start: 0.8893 (tp30) cc_final: 0.8462 (tp30) REVERT: FO 6 LYS cc_start: 0.9233 (mttm) cc_final: 0.8882 (mttm) REVERT: FO 9 LYS cc_start: 0.9237 (tptt) cc_final: 0.8752 (tptp) REVERT: FO 13 ASP cc_start: 0.8671 (m-30) cc_final: 0.7806 (m-30) REVERT: FP 13 ASP cc_start: 0.8757 (t0) cc_final: 0.8508 (t0) REVERT: FQ 1 MET cc_start: 0.7182 (ttm) cc_final: 0.6761 (ttt) REVERT: FS 2 GLU cc_start: 0.8743 (tp30) cc_final: 0.8467 (tp30) REVERT: FS 6 LYS cc_start: 0.9104 (mmtp) cc_final: 0.8853 (mmtm) REVERT: FS 9 LYS cc_start: 0.9163 (tptt) cc_final: 0.8546 (tptm) REVERT: FS 13 ASP cc_start: 0.8800 (m-30) cc_final: 0.7617 (m-30) REVERT: FT 6 LYS cc_start: 0.9349 (ptmt) cc_final: 0.9101 (ptpp) REVERT: FT 12 LYS cc_start: 0.9302 (tmmt) cc_final: 0.8935 (tmmt) REVERT: FU 2 GLU cc_start: 0.7280 (tm-30) cc_final: 0.6929 (tm-30) REVERT: FW 1 MET cc_start: 0.7691 (pmm) cc_final: 0.7189 (pmm) REVERT: FW 2 GLU cc_start: 0.8765 (tp30) cc_final: 0.8116 (tp30) REVERT: FW 6 LYS cc_start: 0.9364 (mmtt) cc_final: 0.8950 (mmtt) REVERT: FX 21 ASN cc_start: 0.7219 (p0) cc_final: 0.6908 (p0) REVERT: FZ 2 GLU cc_start: 0.8235 (pm20) cc_final: 0.7901 (pm20) REVERT: F0 2 GLU cc_start: 0.8940 (tp30) cc_final: 0.8661 (tp30) REVERT: F0 6 LYS cc_start: 0.9407 (mmtt) cc_final: 0.9139 (mmtt) REVERT: F0 13 ASP cc_start: 0.8755 (m-30) cc_final: 0.8408 (m-30) REVERT: F2 10 PHE cc_start: 0.8825 (t80) cc_final: 0.8587 (t80) REVERT: F3 12 LYS cc_start: 0.9238 (tttt) cc_final: 0.8759 (tppt) REVERT: F4 13 ASP cc_start: 0.8608 (m-30) cc_final: 0.8176 (m-30) REVERT: F5 6 LYS cc_start: 0.9266 (ptpt) cc_final: 0.8965 (ptmm) REVERT: F7 12 LYS cc_start: 0.9351 (ttpt) cc_final: 0.8824 (tppt) REVERT: F8 6 LYS cc_start: 0.9285 (mmtp) cc_final: 0.8986 (mttm) REVERT: F8 9 LYS cc_start: 0.9262 (tptm) cc_final: 0.8433 (tptt) REVERT: F8 13 ASP cc_start: 0.8850 (m-30) cc_final: 0.7934 (m-30) REVERT: F9 6 LYS cc_start: 0.9357 (ptmt) cc_final: 0.8884 (ptpp) REVERT: GB 12 LYS cc_start: 0.9268 (tttt) cc_final: 0.8823 (tppt) REVERT: GC 2 GLU cc_start: 0.9012 (OUTLIER) cc_final: 0.8715 (tp30) REVERT: GC 9 LYS cc_start: 0.9192 (tptm) cc_final: 0.8901 (tptm) REVERT: GC 13 ASP cc_start: 0.8734 (m-30) cc_final: 0.8305 (m-30) REVERT: GD 6 LYS cc_start: 0.9295 (ptmt) cc_final: 0.9001 (ptpp) REVERT: GG 2 GLU cc_start: 0.8690 (tp30) cc_final: 0.8199 (tp30) REVERT: GG 6 LYS cc_start: 0.9170 (mmtt) cc_final: 0.8883 (mmtt) REVERT: GG 9 LYS cc_start: 0.9183 (tptm) cc_final: 0.8733 (tptt) REVERT: GH 12 LYS cc_start: 0.9282 (tmmt) cc_final: 0.9021 (tmmt) REVERT: GH 21 ASN cc_start: 0.7730 (OUTLIER) cc_final: 0.7483 (p0) REVERT: GI 1 MET cc_start: 0.5892 (ttt) cc_final: 0.5276 (ttt) REVERT: GJ 15 LEU cc_start: 0.9681 (tp) cc_final: 0.9443 (tp) REVERT: GK 2 GLU cc_start: 0.8773 (tp30) cc_final: 0.8484 (tp30) REVERT: GK 6 LYS cc_start: 0.9127 (mmtm) cc_final: 0.8869 (mmtm) REVERT: GL 6 LYS cc_start: 0.9276 (ptmt) cc_final: 0.9043 (ptpp) REVERT: GL 11 PHE cc_start: 0.8323 (m-80) cc_final: 0.7560 (t80) REVERT: GO 9 LYS cc_start: 0.9269 (tptt) cc_final: 0.8997 (tptt) REVERT: GP 12 LYS cc_start: 0.9437 (tmmt) cc_final: 0.9141 (tmmt) REVERT: GQ 9 LYS cc_start: 0.9320 (tppt) cc_final: 0.9090 (tppt) REVERT: GR 2 GLU cc_start: 0.8331 (pm20) cc_final: 0.8091 (pm20) REVERT: GR 12 LYS cc_start: 0.9252 (tttm) cc_final: 0.8887 (tppt) REVERT: GS 1 MET cc_start: 0.7587 (OUTLIER) cc_final: 0.7258 (ptt) REVERT: GS 2 GLU cc_start: 0.8889 (tp30) cc_final: 0.8263 (tp30) REVERT: GS 6 LYS cc_start: 0.9175 (mttm) cc_final: 0.8769 (mmtm) REVERT: GS 9 LYS cc_start: 0.9168 (tptm) cc_final: 0.8670 (tptm) REVERT: GS 13 ASP cc_start: 0.8722 (m-30) cc_final: 0.8363 (m-30) REVERT: GS 19 LEU cc_start: 0.8167 (OUTLIER) cc_final: 0.7952 (tt) REVERT: GT 1 MET cc_start: 0.7066 (mtm) cc_final: 0.6787 (mtm) REVERT: GW 9 LYS cc_start: 0.9157 (tptm) cc_final: 0.8881 (tptm) REVERT: GW 13 ASP cc_start: 0.8561 (m-30) cc_final: 0.8175 (m-30) REVERT: G0 2 GLU cc_start: 0.8911 (tp30) cc_final: 0.8353 (tp30) REVERT: G0 6 LYS cc_start: 0.9334 (mmtt) cc_final: 0.9074 (mmtt) REVERT: G0 9 LYS cc_start: 0.9276 (tptt) cc_final: 0.8916 (tppt) REVERT: G0 13 ASP cc_start: 0.8818 (OUTLIER) cc_final: 0.8210 (m-30) REVERT: G1 6 LYS cc_start: 0.9394 (ptmt) cc_final: 0.9049 (ptpp) REVERT: G3 12 LYS cc_start: 0.9325 (ttpt) cc_final: 0.8858 (tptp) REVERT: G4 1 MET cc_start: 0.7057 (pmm) cc_final: 0.6696 (pmm) REVERT: G4 2 GLU cc_start: 0.8712 (tp30) cc_final: 0.8467 (tp30) REVERT: G4 9 LYS cc_start: 0.9280 (tppp) cc_final: 0.8640 (tppp) REVERT: G4 13 ASP cc_start: 0.8523 (m-30) cc_final: 0.7752 (m-30) REVERT: G5 6 LYS cc_start: 0.9299 (ptmt) cc_final: 0.8953 (ptpp) REVERT: G8 9 LYS cc_start: 0.9190 (tptt) cc_final: 0.8801 (tptp) REVERT: G8 13 ASP cc_start: 0.8748 (m-30) cc_final: 0.7399 (m-30) REVERT: G9 6 LYS cc_start: 0.9248 (ptpt) cc_final: 0.8871 (ptpp) REVERT: G9 12 LYS cc_start: 0.9464 (tmmt) cc_final: 0.9219 (tmmt) REVERT: G9 21 ASN cc_start: 0.7664 (OUTLIER) cc_final: 0.7370 (p0) REVERT: HC 9 LYS cc_start: 0.9238 (tptt) cc_final: 0.8905 (tptm) REVERT: HD 1 MET cc_start: 0.7334 (mtm) cc_final: 0.6978 (mtm) REVERT: HE 1 MET cc_start: 0.7310 (OUTLIER) cc_final: 0.6893 (ttt) REVERT: HE 2 GLU cc_start: 0.8760 (tp30) cc_final: 0.8490 (tp30) REVERT: HG 9 LYS cc_start: 0.9208 (tptm) cc_final: 0.8731 (tptt) REVERT: HG 13 ASP cc_start: 0.8863 (m-30) cc_final: 0.7987 (m-30) REVERT: HH 11 PHE cc_start: 0.8940 (OUTLIER) cc_final: 0.8649 (m-10) REVERT: HJ 13 ASP cc_start: 0.8876 (t0) cc_final: 0.8057 (t0) REVERT: HK 1 MET cc_start: 0.7668 (pmm) cc_final: 0.7151 (pmm) REVERT: HL 1 MET cc_start: 0.6650 (mtm) cc_final: 0.6245 (mtm) REVERT: HL 13 ASP cc_start: 0.8810 (t0) cc_final: 0.8536 (t0) REVERT: HM 2 GLU cc_start: 0.7235 (tm-30) cc_final: 0.6650 (tm-30) REVERT: HN 12 LYS cc_start: 0.9088 (tptm) cc_final: 0.8756 (tppt) REVERT: HO 9 LYS cc_start: 0.9275 (tptt) cc_final: 0.8486 (tptp) REVERT: HO 13 ASP cc_start: 0.8639 (m-30) cc_final: 0.7090 (m-30) REVERT: HP 6 LYS cc_start: 0.9204 (ptpt) cc_final: 0.8824 (ptpp) REVERT: HS 2 GLU cc_start: 0.8863 (tp30) cc_final: 0.8416 (tp30) REVERT: HS 6 LYS cc_start: 0.9301 (mmtt) cc_final: 0.9056 (mmtt) REVERT: HS 9 LYS cc_start: 0.9109 (tptm) cc_final: 0.8407 (tptt) REVERT: HS 13 ASP cc_start: 0.8803 (m-30) cc_final: 0.7746 (m-30) REVERT: HT 1 MET cc_start: 0.6990 (mtm) cc_final: 0.6710 (mtm) REVERT: HT 12 LYS cc_start: 0.9361 (tmmt) cc_final: 0.9055 (tmmt) REVERT: HU 13 ASP cc_start: 0.8687 (p0) cc_final: 0.8474 (p0) REVERT: HW 6 LYS cc_start: 0.9130 (mmtm) cc_final: 0.8854 (mmtm) REVERT: HW 9 LYS cc_start: 0.9225 (tptt) cc_final: 0.8878 (tptt) REVERT: HW 13 ASP cc_start: 0.8739 (m-30) cc_final: 0.8197 (m-30) REVERT: HW 15 LEU cc_start: 0.8307 (OUTLIER) cc_final: 0.8044 (tp) REVERT: HX 6 LYS cc_start: 0.9399 (ptmt) cc_final: 0.9125 (ptpp) REVERT: HY 9 LYS cc_start: 0.9370 (tppt) cc_final: 0.8900 (tppt) REVERT: HZ 11 PHE cc_start: 0.9156 (m-10) cc_final: 0.8800 (m-80) REVERT: H0 2 GLU cc_start: 0.8870 (tp30) cc_final: 0.8283 (tp30) REVERT: H0 6 LYS cc_start: 0.9379 (mmtt) cc_final: 0.9006 (mmtt) REVERT: H0 9 LYS cc_start: 0.9291 (tptt) cc_final: 0.8909 (tptt) REVERT: H1 12 LYS cc_start: 0.9285 (tmmt) cc_final: 0.8978 (tmmt) REVERT: H1 13 ASP cc_start: 0.8858 (t0) cc_final: 0.8598 (t0) REVERT: H4 2 GLU cc_start: 0.8888 (tp30) cc_final: 0.8549 (tp30) REVERT: H4 6 LYS cc_start: 0.9343 (mmtt) cc_final: 0.9097 (mmtt) REVERT: H4 9 LYS cc_start: 0.9188 (tptt) cc_final: 0.8490 (tptt) REVERT: H4 13 ASP cc_start: 0.8656 (m-30) cc_final: 0.7823 (m-30) REVERT: H4 15 LEU cc_start: 0.8278 (OUTLIER) cc_final: 0.7870 (tt) REVERT: H5 6 LYS cc_start: 0.9189 (ptpt) cc_final: 0.8943 (ptpp) REVERT: H5 21 ASN cc_start: 0.7404 (OUTLIER) cc_final: 0.7128 (p0) REVERT: H6 12 LYS cc_start: 0.8988 (tttp) cc_final: 0.8756 (tttm) REVERT: H7 12 LYS cc_start: 0.9014 (tptm) cc_final: 0.8740 (tppt) REVERT: H7 13 ASP cc_start: 0.8922 (t0) cc_final: 0.8494 (t0) REVERT: H8 9 LYS cc_start: 0.9215 (tptm) cc_final: 0.8835 (tptm) REVERT: H9 6 LYS cc_start: 0.9273 (ptmt) cc_final: 0.8912 (ptmt) REVERT: H9 21 ASN cc_start: 0.7720 (OUTLIER) cc_final: 0.7371 (p0) REVERT: IA 1 MET cc_start: 0.6379 (OUTLIER) cc_final: 0.5768 (ttt) REVERT: IC 9 LYS cc_start: 0.9148 (tptt) cc_final: 0.8675 (tptp) REVERT: IC 13 ASP cc_start: 0.8551 (m-30) cc_final: 0.7702 (m-30) REVERT: ID 1 MET cc_start: 0.7068 (mtm) cc_final: 0.6623 (mtm) REVERT: IG 9 LYS cc_start: 0.9204 (tptm) cc_final: 0.8876 (tptt) REVERT: IH 6 LYS cc_start: 0.9338 (ptpt) cc_final: 0.9018 (ptpp) REVERT: IK 9 LYS cc_start: 0.9174 (tptt) cc_final: 0.8639 (tptp) REVERT: IK 13 ASP cc_start: 0.8738 (m-30) cc_final: 0.7501 (m-30) REVERT: IL 6 LYS cc_start: 0.9296 (ptpt) cc_final: 0.8954 (ptpt) REVERT: IL 15 LEU cc_start: 0.8829 (OUTLIER) cc_final: 0.8498 (tp) REVERT: IL 21 ASN cc_start: 0.7594 (p0) cc_final: 0.7383 (p0) REVERT: IN 9 LYS cc_start: 0.9358 (tppt) cc_final: 0.9135 (ttmm) REVERT: IO 9 LYS cc_start: 0.9249 (tptt) cc_final: 0.8662 (tptm) REVERT: IO 13 ASP cc_start: 0.8801 (m-30) cc_final: 0.7910 (m-30) REVERT: IP 1 MET cc_start: 0.7391 (mtm) cc_final: 0.7025 (mtm) REVERT: IP 6 LYS cc_start: 0.9283 (ptpt) cc_final: 0.8952 (ptpp) REVERT: IP 13 ASP cc_start: 0.8771 (t0) cc_final: 0.8514 (t0) REVERT: IQ 3 PHE cc_start: 0.8970 (m-80) cc_final: 0.8512 (m-10) REVERT: IR 11 PHE cc_start: 0.8877 (m-10) cc_final: 0.8562 (m-80) REVERT: IR 12 LYS cc_start: 0.9115 (tttt) cc_final: 0.8677 (tppt) REVERT: IS 6 LYS cc_start: 0.9283 (mmtm) cc_final: 0.8985 (mmtm) REVERT: IS 9 LYS cc_start: 0.9182 (tptt) cc_final: 0.8922 (tptm) REVERT: IS 13 ASP cc_start: 0.8754 (m-30) cc_final: 0.8204 (m-30) REVERT: IT 6 LYS cc_start: 0.9301 (ptmt) cc_final: 0.9070 (ptpp) REVERT: IU 13 ASP cc_start: 0.8314 (OUTLIER) cc_final: 0.8089 (p0) REVERT: IZ 12 LYS cc_start: 0.9184 (tttm) cc_final: 0.8803 (tppt) REVERT: I0 9 LYS cc_start: 0.9312 (tptm) cc_final: 0.9053 (tptm) REVERT: I1 1 MET cc_start: 0.7065 (mtm) cc_final: 0.6814 (mmm) REVERT: I4 9 LYS cc_start: 0.9100 (tptm) cc_final: 0.8780 (tptt) REVERT: I5 12 LYS cc_start: 0.9283 (tmmt) cc_final: 0.9040 (tmmt) REVERT: I7 12 LYS cc_start: 0.9073 (tttt) cc_final: 0.8680 (tppt) REVERT: I8 2 GLU cc_start: 0.8771 (tp30) cc_final: 0.8245 (tp30) REVERT: I9 6 LYS cc_start: 0.9216 (ptmt) cc_final: 0.8917 (ptpp) REVERT: JD 12 LYS cc_start: 0.9335 (tmmt) cc_final: 0.9061 (tmmt) REVERT: JD 18 PHE cc_start: 0.8945 (t80) cc_final: 0.8641 (t80) REVERT: JE 1 MET cc_start: 0.5949 (ttm) cc_final: 0.5676 (ttt) REVERT: JH 12 LYS cc_start: 0.9350 (tmmt) cc_final: 0.9020 (tmmt) REVERT: JH 18 PHE cc_start: 0.8892 (t80) cc_final: 0.8464 (t80) REVERT: JJ 15 LEU cc_start: 0.9556 (tp) cc_final: 0.9295 (tp) REVERT: JK 18 PHE cc_start: 0.8777 (OUTLIER) cc_final: 0.8286 (t80) REVERT: JL 13 ASP cc_start: 0.8840 (t70) cc_final: 0.8427 (t0) REVERT: JN 13 ASP cc_start: 0.9050 (t0) cc_final: 0.8575 (t0) REVERT: JO 2 GLU cc_start: 0.8819 (tp30) cc_final: 0.8485 (tp30) REVERT: JO 6 LYS cc_start: 0.9414 (mmtt) cc_final: 0.9188 (mmtt) REVERT: JO 9 LYS cc_start: 0.9177 (tptm) cc_final: 0.8488 (tptm) REVERT: JO 13 ASP cc_start: 0.8778 (m-30) cc_final: 0.7908 (m-30) REVERT: JP 12 LYS cc_start: 0.9395 (tmmt) cc_final: 0.9143 (tmmt) REVERT: JP 13 ASP cc_start: 0.8801 (t0) cc_final: 0.8534 (t0) REVERT: JQ 1 MET cc_start: 0.6710 (tmm) cc_final: 0.6324 (tmm) REVERT: JQ 2 GLU cc_start: 0.8510 (tp30) cc_final: 0.8186 (tp30) REVERT: JS 9 LYS cc_start: 0.9284 (tptm) cc_final: 0.9007 (tptm) REVERT: JS 13 ASP cc_start: 0.8590 (m-30) cc_final: 0.8355 (m-30) REVERT: JV 11 PHE cc_start: 0.9115 (m-10) cc_final: 0.8815 (m-10) REVERT: JW 9 LYS cc_start: 0.9016 (tptt) cc_final: 0.8526 (tptm) REVERT: JW 13 ASP cc_start: 0.8593 (m-30) cc_final: 0.7649 (m-30) REVERT: JX 1 MET cc_start: 0.7085 (mtm) cc_final: 0.6798 (mtm) REVERT: JX 13 ASP cc_start: 0.8870 (t0) cc_final: 0.8601 (t70) REVERT: JZ 12 LYS cc_start: 0.9251 (ttpt) cc_final: 0.8837 (tptp) REVERT: J0 1 MET cc_start: 0.7525 (ptp) cc_final: 0.7246 (ptp) REVERT: J0 17 LYS cc_start: 0.9221 (mtpp) cc_final: 0.9017 (mtpt) REVERT: J3 9 LYS cc_start: 0.9123 (tppt) cc_final: 0.8916 (ttmm) REVERT: J3 12 LYS cc_start: 0.9093 (tmmt) cc_final: 0.8585 (tppt) REVERT: J4 9 LYS cc_start: 0.9235 (tptm) cc_final: 0.8585 (tptt) REVERT: J4 13 ASP cc_start: 0.8613 (m-30) cc_final: 0.7342 (m-30) REVERT: J5 13 ASP cc_start: 0.8913 (t0) cc_final: 0.8703 (t0) REVERT: J6 1 MET cc_start: 0.6014 (tmm) cc_final: 0.5686 (tmm) REVERT: J8 6 LYS cc_start: 0.9235 (mttm) cc_final: 0.8910 (mttm) REVERT: J8 9 LYS cc_start: 0.9241 (tptm) cc_final: 0.8895 (tptt) REVERT: J8 19 LEU cc_start: 0.8037 (OUTLIER) cc_final: 0.7752 (tt) REVERT: KC 9 LYS cc_start: 0.9209 (tptt) cc_final: 0.8566 (tptm) REVERT: KC 13 ASP cc_start: 0.8712 (m-30) cc_final: 0.7401 (m-30) REVERT: KC 19 LEU cc_start: 0.8044 (OUTLIER) cc_final: 0.7766 (tt) REVERT: KD 6 LYS cc_start: 0.9368 (ptpt) cc_final: 0.9013 (ptpp) REVERT: KD 13 ASP cc_start: 0.8910 (t0) cc_final: 0.8463 (t0) REVERT: KF 13 ASP cc_start: 0.8728 (t0) cc_final: 0.8300 (t0) REVERT: KG 2 GLU cc_start: 0.8801 (tp30) cc_final: 0.8352 (tp30) REVERT: KG 6 LYS cc_start: 0.9358 (mmtt) cc_final: 0.9099 (mmtt) REVERT: KH 1 MET cc_start: 0.7167 (mtm) cc_final: 0.6362 (mtm) REVERT: KJ 2 GLU cc_start: 0.8483 (pm20) cc_final: 0.8198 (pm20) REVERT: KK 9 LYS cc_start: 0.9171 (tptt) cc_final: 0.8819 (tptm) REVERT: KK 13 ASP cc_start: 0.8740 (m-30) cc_final: 0.7905 (m-30) REVERT: KL 6 LYS cc_start: 0.9361 (ptpt) cc_final: 0.9023 (pttt) REVERT: KL 13 ASP cc_start: 0.8801 (t0) cc_final: 0.8524 (t70) REVERT: KM 12 LYS cc_start: 0.9147 (tttp) cc_final: 0.8825 (tttt) REVERT: KN 13 ASP cc_start: 0.8985 (t0) cc_final: 0.8638 (t0) REVERT: KO 9 LYS cc_start: 0.9185 (tptt) cc_final: 0.8586 (tptm) REVERT: KO 13 ASP cc_start: 0.8667 (m-30) cc_final: 0.7587 (m-30) REVERT: KP 6 LYS cc_start: 0.9281 (ptpt) cc_final: 0.8952 (ptmm) REVERT: KP 12 LYS cc_start: 0.9344 (tmmt) cc_final: 0.8948 (tmmt) REVERT: KR 12 LYS cc_start: 0.9275 (ttpt) cc_final: 0.8874 (tppt) REVERT: KS 9 LYS cc_start: 0.9173 (tptm) cc_final: 0.8851 (tptm) REVERT: KS 13 ASP cc_start: 0.8813 (m-30) cc_final: 0.8423 (m-30) REVERT: KW 1 MET cc_start: 0.7849 (pmm) cc_final: 0.6990 (pmm) REVERT: KW 13 ASP cc_start: 0.8803 (m-30) cc_final: 0.8537 (m-30) REVERT: KZ 12 LYS cc_start: 0.9177 (tttm) cc_final: 0.8641 (tptp) REVERT: K0 2 GLU cc_start: 0.8917 (tp30) cc_final: 0.8567 (tp30) REVERT: K0 6 LYS cc_start: 0.9351 (mmtt) cc_final: 0.9014 (mmtm) REVERT: K0 13 ASP cc_start: 0.8854 (m-30) cc_final: 0.8533 (m-30) REVERT: K1 1 MET cc_start: 0.6984 (mtm) cc_final: 0.6683 (mtm) REVERT: K1 6 LYS cc_start: 0.9341 (ptmt) cc_final: 0.8976 (ptpp) REVERT: K1 13 ASP cc_start: 0.8815 (t0) cc_final: 0.8479 (t0) REVERT: K2 18 PHE cc_start: 0.8911 (t80) cc_final: 0.8676 (t80) REVERT: K3 9 LYS cc_start: 0.9296 (tppt) cc_final: 0.9035 (ttmm) REVERT: K3 12 LYS cc_start: 0.9174 (tttm) cc_final: 0.8718 (tptp) REVERT: K4 1 MET cc_start: 0.7405 (pmm) cc_final: 0.7007 (pmm) REVERT: K4 9 LYS cc_start: 0.9293 (tptm) cc_final: 0.8909 (tptp) REVERT: K4 13 ASP cc_start: 0.8717 (m-30) cc_final: 0.8342 (m-30) REVERT: K5 6 LYS cc_start: 0.9195 (ptmt) cc_final: 0.8872 (ptmt) REVERT: K8 1 MET cc_start: 0.7485 (pmm) cc_final: 0.6467 (pmm) REVERT: LA 2 GLU cc_start: 0.7216 (tm-30) cc_final: 0.6993 (tm-30) REVERT: LC 9 LYS cc_start: 0.9292 (tptm) cc_final: 0.9091 (tptm) REVERT: LD 18 PHE cc_start: 0.8790 (t80) cc_final: 0.8222 (t80) REVERT: LE 1 MET cc_start: 0.6643 (tmm) cc_final: 0.6135 (tmm) REVERT: LE 3 PHE cc_start: 0.9098 (m-80) cc_final: 0.8831 (m-80) REVERT: LF 11 PHE cc_start: 0.9110 (m-10) cc_final: 0.8783 (m-80) REVERT: LG 1 MET cc_start: 0.7175 (pmm) cc_final: 0.6519 (pmm) REVERT: LG 9 LYS cc_start: 0.9164 (tptt) cc_final: 0.8884 (tptt) REVERT: LH 6 LYS cc_start: 0.9263 (ptpp) cc_final: 0.8985 (ptmm) REVERT: LJ 13 ASP cc_start: 0.8815 (t0) cc_final: 0.8194 (t70) REVERT: LK 2 GLU cc_start: 0.8879 (tp30) cc_final: 0.8257 (tp30) REVERT: LK 6 LYS cc_start: 0.9437 (mmtt) cc_final: 0.8889 (mmtm) REVERT: LK 9 LYS cc_start: 0.9117 (tptm) cc_final: 0.8823 (tptm) REVERT: LK 13 ASP cc_start: 0.8847 (m-30) cc_final: 0.8478 (m-30) REVERT: LL 12 LYS cc_start: 0.9345 (tmmt) cc_final: 0.9070 (tmmt) REVERT: LN 1 MET cc_start: 0.7737 (ptm) cc_final: 0.7498 (ptm) REVERT: LO 1 MET cc_start: 0.7463 (pmm) cc_final: 0.6953 (pmm) REVERT: LO 2 GLU cc_start: 0.8750 (tp30) cc_final: 0.8503 (tp30) REVERT: LO 9 LYS cc_start: 0.9235 (tptt) cc_final: 0.9000 (tptm) REVERT: LO 17 LYS cc_start: 0.8970 (mtpt) cc_final: 0.8736 (mtpt) REVERT: LQ 2 GLU cc_start: 0.8674 (tp30) cc_final: 0.8342 (tp30) REVERT: LS 9 LYS cc_start: 0.9185 (tptt) cc_final: 0.8860 (tptm) REVERT: LS 13 ASP cc_start: 0.8666 (m-30) cc_final: 0.8130 (m-30) REVERT: LW 9 LYS cc_start: 0.9232 (tptt) cc_final: 0.8983 (tptm) REVERT: LX 6 LYS cc_start: 0.9364 (ptmt) cc_final: 0.9064 (ptpp) REVERT: LX 12 LYS cc_start: 0.9394 (tmmt) cc_final: 0.9056 (tmmt) REVERT: LZ 12 LYS cc_start: 0.9092 (ttpt) cc_final: 0.8718 (tppt) REVERT: L0 9 LYS cc_start: 0.9218 (tptp) cc_final: 0.8974 (tptt) REVERT: L0 13 ASP cc_start: 0.8792 (m-30) cc_final: 0.8267 (m-30) REVERT: L0 19 LEU cc_start: 0.7750 (OUTLIER) cc_final: 0.7485 (tt) REVERT: L1 6 LYS cc_start: 0.9065 (ptpp) cc_final: 0.8840 (ptmm) REVERT: L4 9 LYS cc_start: 0.9193 (tptt) cc_final: 0.8928 (tptt) REVERT: L5 1 MET cc_start: 0.7119 (mtm) cc_final: 0.6908 (mtm) REVERT: L5 13 ASP cc_start: 0.8797 (t0) cc_final: 0.8539 (t0) REVERT: L6 1 MET cc_start: 0.6373 (tmm) cc_final: 0.5966 (tmm) REVERT: L6 2 GLU cc_start: 0.8488 (tp30) cc_final: 0.8238 (tp30) REVERT: L7 13 ASP cc_start: 0.9024 (t0) cc_final: 0.8572 (t0) REVERT: L8 9 LYS cc_start: 0.9251 (tptm) cc_final: 0.8467 (tptm) REVERT: L8 13 ASP cc_start: 0.8814 (m-30) cc_final: 0.7995 (m-30) REVERT: L8 17 LYS cc_start: 0.9035 (mtpt) cc_final: 0.8677 (mtpp) REVERT: L9 6 LYS cc_start: 0.9343 (ptpt) cc_final: 0.8991 (ptpp) REVERT: L9 13 ASP cc_start: 0.8919 (t0) cc_final: 0.8474 (t0) REVERT: MB 6 LYS cc_start: 0.9186 (ttmm) cc_final: 0.8911 (mtmm) REVERT: MB 9 LYS cc_start: 0.9257 (tppt) cc_final: 0.9019 (ttmm) REVERT: MC 2 GLU cc_start: 0.8852 (tp30) cc_final: 0.8555 (tp30) REVERT: MC 9 LYS cc_start: 0.9247 (tptm) cc_final: 0.8398 (tptm) REVERT: MC 13 ASP cc_start: 0.8786 (m-30) cc_final: 0.7898 (m-30) REVERT: MD 6 LYS cc_start: 0.9297 (ptmt) cc_final: 0.8957 (ptpp) REVERT: MD 12 LYS cc_start: 0.9407 (tmmt) cc_final: 0.9001 (tmmt) REVERT: MD 13 ASP cc_start: 0.8705 (t0) cc_final: 0.8458 (t0) REVERT: MG 2 GLU cc_start: 0.8639 (tp30) cc_final: 0.8161 (tp30) REVERT: MG 6 LYS cc_start: 0.9347 (mmtp) cc_final: 0.9003 (mmtm) REVERT: MG 13 ASP cc_start: 0.8710 (m-30) cc_final: 0.8182 (m-30) REVERT: MG 15 LEU cc_start: 0.8239 (OUTLIER) cc_final: 0.7743 (tt) REVERT: MH 6 LYS cc_start: 0.9304 (ptmt) cc_final: 0.9073 (ptpp) REVERT: MH 13 ASP cc_start: 0.8906 (t0) cc_final: 0.8514 (t0) REVERT: MJ 2 GLU cc_start: 0.8537 (pm20) cc_final: 0.8275 (pm20) REVERT: MJ 12 LYS cc_start: 0.9149 (ttpt) cc_final: 0.8649 (tppt) REVERT: MK 6 LYS cc_start: 0.9280 (mttm) cc_final: 0.8789 (mmtm) REVERT: MK 19 LEU cc_start: 0.8137 (OUTLIER) cc_final: 0.7922 (tt) REVERT: ML 6 LYS cc_start: 0.9131 (ptpp) cc_final: 0.8902 (ptmm) REVERT: ML 12 LYS cc_start: 0.9374 (tmmt) cc_final: 0.9037 (tmmt) REVERT: MO 2 GLU cc_start: 0.8825 (tp30) cc_final: 0.8487 (tp30) REVERT: MO 6 LYS cc_start: 0.9248 (mtpp) cc_final: 0.8985 (mtpp) REVERT: MO 9 LYS cc_start: 0.9152 (tptt) cc_final: 0.8700 (tptp) REVERT: MO 13 ASP cc_start: 0.8745 (m-30) cc_final: 0.8056 (m-30) REVERT: MR 2 GLU cc_start: 0.8402 (pm20) cc_final: 0.8137 (pm20) REVERT: MR 11 PHE cc_start: 0.9022 (m-10) cc_final: 0.8704 (m-80) REVERT: MS 9 LYS cc_start: 0.9198 (tptm) cc_final: 0.8867 (tptm) REVERT: MT 6 LYS cc_start: 0.9043 (ptpp) cc_final: 0.8752 (ptmm) REVERT: MT 21 ASN cc_start: 0.7089 (p0) cc_final: 0.6661 (p0) REVERT: MU 1 MET cc_start: 0.6195 (tmm) cc_final: 0.5934 (tmm) REVERT: MW 9 LYS cc_start: 0.9281 (tptm) cc_final: 0.8871 (tptt) REVERT: MW 13 ASP cc_start: 0.8745 (m-30) cc_final: 0.8332 (m-30) REVERT: MX 12 LYS cc_start: 0.9265 (tmmt) cc_final: 0.8964 (tmmt) REVERT: MY 1 MET cc_start: 0.6796 (ttp) cc_final: 0.6519 (ttm) REVERT: MZ 1 MET cc_start: 0.7817 (ptt) cc_final: 0.7508 (ptt) REVERT: M0 2 GLU cc_start: 0.8884 (tp30) cc_final: 0.8309 (tp30) REVERT: M0 6 LYS cc_start: 0.9072 (ttmm) cc_final: 0.8824 (mmtp) REVERT: M0 9 LYS cc_start: 0.9096 (tptt) cc_final: 0.8719 (tptp) REVERT: M0 13 ASP cc_start: 0.8729 (m-30) cc_final: 0.8073 (m-30) REVERT: M1 1 MET cc_start: 0.7145 (mtm) cc_final: 0.6691 (mtp) REVERT: M1 6 LYS cc_start: 0.9312 (ptmt) cc_final: 0.9048 (ptpp) REVERT: M4 9 LYS cc_start: 0.9222 (tptt) cc_final: 0.8913 (tptt) REVERT: M5 12 LYS cc_start: 0.9400 (tttm) cc_final: 0.9123 (tmmt) REVERT: M6 1 MET cc_start: 0.6419 (ttm) cc_final: 0.6089 (ttt) REVERT: M8 9 LYS cc_start: 0.9180 (tptt) cc_final: 0.8437 (tptm) REVERT: M8 13 ASP cc_start: 0.8740 (m-30) cc_final: 0.7646 (m-30) REVERT: M9 6 LYS cc_start: 0.9224 (ptpt) cc_final: 0.8940 (ptpp) REVERT: NB 2 GLU cc_start: 0.8433 (pm20) cc_final: 0.8046 (pm20) REVERT: NB 12 LYS cc_start: 0.9287 (ttpt) cc_final: 0.8880 (tppt) REVERT: NC 9 LYS cc_start: 0.9208 (tptt) cc_final: 0.8761 (tptm) REVERT: NC 13 ASP cc_start: 0.8627 (m-30) cc_final: 0.7600 (m-30) REVERT: ND 6 LYS cc_start: 0.9368 (ptmt) cc_final: 0.8954 (ptpp) REVERT: ND 13 ASP cc_start: 0.8845 (t0) cc_final: 0.8527 (t0) REVERT: NF 13 ASP cc_start: 0.8954 (t0) cc_final: 0.8487 (t70) REVERT: NH 18 PHE cc_start: 0.8940 (t80) cc_final: 0.8701 (t80) REVERT: NK 1 MET cc_start: 0.7038 (pmm) cc_final: 0.6376 (pmm) REVERT: NK 9 LYS cc_start: 0.9210 (tptm) cc_final: 0.8978 (tptm) REVERT: NL 6 LYS cc_start: 0.9238 (ptpt) cc_final: 0.8942 (pttt) REVERT: NL 13 ASP cc_start: 0.8865 (t0) cc_final: 0.8548 (t0) REVERT: NL 21 ASN cc_start: 0.7329 (p0) cc_final: 0.7073 (p0) REVERT: NM 2 GLU cc_start: 0.7881 (OUTLIER) cc_final: 0.7334 (tm-30) REVERT: NO 2 GLU cc_start: 0.8826 (tp30) cc_final: 0.8349 (tp30) REVERT: NO 6 LYS cc_start: 0.9287 (mmtt) cc_final: 0.8958 (mmtt) REVERT: NO 9 LYS cc_start: 0.9185 (tptt) cc_final: 0.8583 (tptp) REVERT: NO 13 ASP cc_start: 0.8623 (m-30) cc_final: 0.7554 (m-30) REVERT: NS 9 LYS cc_start: 0.9293 (tptm) cc_final: 0.8952 (tptt) REVERT: NS 13 ASP cc_start: 0.8775 (m-30) cc_final: 0.8308 (m-30) REVERT: NS 17 LYS cc_start: 0.9055 (mtpt) cc_final: 0.8774 (mtpt) REVERT: NT 6 LYS cc_start: 0.9246 (ptmt) cc_final: 0.8865 (ptpp) REVERT: NT 13 ASP cc_start: 0.8792 (t0) cc_final: 0.8418 (t0) REVERT: NW 2 GLU cc_start: 0.8754 (tp30) cc_final: 0.8502 (tp30) REVERT: NW 6 LYS cc_start: 0.9183 (mmtm) cc_final: 0.8848 (mmtp) REVERT: NY 1 MET cc_start: 0.6259 (tmm) cc_final: 0.6005 (tmm) REVERT: N0 2 GLU cc_start: 0.8805 (tp30) cc_final: 0.8328 (tp30) REVERT: N0 6 LYS cc_start: 0.9366 (mmtm) cc_final: 0.9077 (mmtt) REVERT: N0 13 ASP cc_start: 0.8576 (m-30) cc_final: 0.8199 (m-30) REVERT: N1 18 PHE cc_start: 0.8925 (t80) cc_final: 0.8721 (t80) REVERT: N3 12 LYS cc_start: 0.9171 (tttm) cc_final: 0.8764 (tppt) REVERT: N4 2 GLU cc_start: 0.8745 (tp30) cc_final: 0.8328 (tp30) REVERT: N4 9 LYS cc_start: 0.9221 (tptm) cc_final: 0.8840 (tptt) REVERT: N8 9 LYS cc_start: 0.9086 (tptt) cc_final: 0.8779 (tptm) REVERT: N8 13 ASP cc_start: 0.8611 (m-30) cc_final: 0.8151 (m-30) REVERT: N9 12 LYS cc_start: 0.9256 (tmmt) cc_final: 0.8996 (tmmt) REVERT: N9 13 ASP cc_start: 0.8820 (t0) cc_final: 0.8516 (t0) REVERT: N9 21 ASN cc_start: 0.7630 (OUTLIER) cc_final: 0.7294 (p0) REVERT: OC 9 LYS cc_start: 0.9310 (tptm) cc_final: 0.8682 (tptp) REVERT: OC 13 ASP cc_start: 0.8747 (m-30) cc_final: 0.7928 (m-30) REVERT: OD 1 MET cc_start: 0.7036 (mtm) cc_final: 0.6763 (mtm) REVERT: OD 6 LYS cc_start: 0.9214 (ptmt) cc_final: 0.8945 (ptpp) REVERT: OF 12 LYS cc_start: 0.9204 (tttm) cc_final: 0.8872 (tppt) REVERT: OG 9 LYS cc_start: 0.8978 (tptp) cc_final: 0.8668 (tptt) REVERT: OH 6 LYS cc_start: 0.9268 (ptmt) cc_final: 0.8833 (ptmt) REVERT: OK 2 GLU cc_start: 0.8712 (tp30) cc_final: 0.8093 (tp30) REVERT: OK 6 LYS cc_start: 0.9360 (mttm) cc_final: 0.8960 (mttm) REVERT: OK 9 LYS cc_start: 0.9315 (tptm) cc_final: 0.9015 (tptt) REVERT: OK 13 ASP cc_start: 0.8841 (m-30) cc_final: 0.8364 (m-30) REVERT: OL 15 LEU cc_start: 0.8943 (OUTLIER) cc_final: 0.8675 (tt) REVERT: OO 9 LYS cc_start: 0.9144 (tptt) cc_final: 0.8773 (tptt) REVERT: OP 1 MET cc_start: 0.7287 (mtm) cc_final: 0.6992 (mtm) REVERT: OP 6 LYS cc_start: 0.9182 (ptmt) cc_final: 0.8908 (ptpp) REVERT: OQ 1 MET cc_start: 0.6902 (ttp) cc_final: 0.6538 (tmm) REVERT: OR 12 LYS cc_start: 0.9287 (ttpt) cc_final: 0.8785 (tppt) REVERT: OR 13 ASP cc_start: 0.8929 (t0) cc_final: 0.8324 (t0) REVERT: OS 9 LYS cc_start: 0.9224 (tptm) cc_final: 0.8455 (tptt) REVERT: OS 13 ASP cc_start: 0.8731 (m-30) cc_final: 0.7727 (m-30) REVERT: OT 1 MET cc_start: 0.7330 (mtm) cc_final: 0.7000 (mtm) REVERT: OT 15 LEU cc_start: 0.9009 (OUTLIER) cc_final: 0.8536 (tp) REVERT: OV 9 LYS cc_start: 0.8981 (ttmm) cc_final: 0.8729 (tppt) REVERT: OX 6 LYS cc_start: 0.9278 (ptmt) cc_final: 0.8983 (ptpp) REVERT: O0 13 ASP cc_start: 0.8690 (OUTLIER) cc_final: 0.8364 (m-30) REVERT: O1 6 LYS cc_start: 0.9317 (ptmt) cc_final: 0.9095 (ptpp) REVERT: O1 12 LYS cc_start: 0.9297 (tmmt) cc_final: 0.9035 (tmmt) REVERT: O1 15 LEU cc_start: 0.8894 (OUTLIER) cc_final: 0.8472 (tp) REVERT: O2 8 PHE cc_start: 0.9139 (m-80) cc_final: 0.8812 (m-80) REVERT: O3 6 LYS cc_start: 0.9210 (ttmm) cc_final: 0.8982 (mtmm) REVERT: O3 12 LYS cc_start: 0.9197 (ttpt) cc_final: 0.8791 (tppt) REVERT: O4 1 MET cc_start: 0.4048 (OUTLIER) cc_final: 0.3246 (mmt) REVERT: O4 9 LYS cc_start: 0.9241 (tptm) cc_final: 0.8960 (tptt) REVERT: O4 17 LYS cc_start: 0.9166 (mtpp) cc_final: 0.8861 (mtpp) REVERT: O5 6 LYS cc_start: 0.9368 (ptpt) cc_final: 0.9060 (pttt) REVERT: O5 13 ASP cc_start: 0.8797 (t0) cc_final: 0.8479 (t70) REVERT: O8 9 LYS cc_start: 0.9168 (tptt) cc_final: 0.8741 (tptp) REVERT: O8 13 ASP cc_start: 0.8588 (m-30) cc_final: 0.7712 (m-30) REVERT: O8 15 LEU cc_start: 0.8303 (OUTLIER) cc_final: 0.8099 (tp) REVERT: PC 2 GLU cc_start: 0.8763 (tp30) cc_final: 0.8345 (tp30) REVERT: PF 15 LEU cc_start: 0.9659 (tp) cc_final: 0.9453 (tp) REVERT: PJ 13 ASP cc_start: 0.8937 (t0) cc_final: 0.8376 (t0) REVERT: PO 9 LYS cc_start: 0.9158 (tptt) cc_final: 0.8550 (tptm) REVERT: PO 13 ASP cc_start: 0.8586 (m-30) cc_final: 0.7653 (m-30) REVERT: PP 6 LYS cc_start: 0.9246 (ptmt) cc_final: 0.9000 (ptpp) REVERT: PP 21 ASN cc_start: 0.7581 (p0) cc_final: 0.7341 (p0) REVERT: PR 2 GLU cc_start: 0.8405 (pm20) cc_final: 0.8126 (pm20) REVERT: PS 9 LYS cc_start: 0.9270 (tptm) cc_final: 0.8823 (tptm) REVERT: PS 13 ASP cc_start: 0.8881 (m-30) cc_final: 0.8159 (m-30) REVERT: PS 19 LEU cc_start: 0.8196 (OUTLIER) cc_final: 0.7982 (tt) REVERT: PT 12 LYS cc_start: 0.9383 (tmmt) cc_final: 0.9076 (tmmt) REVERT: PV 12 LYS cc_start: 0.9276 (tttm) cc_final: 0.8675 (tptp) REVERT: PV 13 ASP cc_start: 0.9053 (t0) cc_final: 0.8536 (t0) REVERT: PW 9 LYS cc_start: 0.9219 (tptt) cc_final: 0.8739 (tptm) REVERT: PW 13 ASP cc_start: 0.8619 (m-30) cc_final: 0.7676 (m-30) REVERT: PX 6 LYS cc_start: 0.9300 (ptmt) cc_final: 0.8984 (ptpp) REVERT: PZ 12 LYS cc_start: 0.9348 (ttpt) cc_final: 0.8897 (tppt) REVERT: P0 9 LYS cc_start: 0.9189 (tptt) cc_final: 0.8795 (tptm) REVERT: P0 13 ASP cc_start: 0.8675 (m-30) cc_final: 0.7766 (m-30) REVERT: P0 19 LEU cc_start: 0.7934 (OUTLIER) cc_final: 0.7697 (tt) REVERT: P1 15 LEU cc_start: 0.8696 (OUTLIER) cc_final: 0.8431 (tp) REVERT: P2 2 GLU cc_start: 0.7549 (OUTLIER) cc_final: 0.7348 (tm-30) REVERT: P3 9 LYS cc_start: 0.9316 (tppt) cc_final: 0.9075 (ttmm) REVERT: P4 2 GLU cc_start: 0.8961 (tp30) cc_final: 0.8628 (tp30) REVERT: P5 6 LYS cc_start: 0.9318 (ptmt) cc_final: 0.9084 (ptpp) REVERT: P5 12 LYS cc_start: 0.9363 (tmmt) cc_final: 0.9058 (tmmt) REVERT: P8 9 LYS cc_start: 0.9162 (tptm) cc_final: 0.8871 (tptm) REVERT: P8 13 ASP cc_start: 0.8774 (m-30) cc_final: 0.8302 (m-30) REVERT: P9 1 MET cc_start: 0.7362 (mtm) cc_final: 0.7042 (mtm) REVERT: QA 1 MET cc_start: 0.6513 (ttt) cc_final: 0.6040 (ttt) REVERT: QC 9 LYS cc_start: 0.9218 (tptt) cc_final: 0.8826 (tptm) REVERT: QC 13 ASP cc_start: 0.8623 (m-30) cc_final: 0.7923 (m-30) REVERT: QD 6 LYS cc_start: 0.9317 (ptmt) cc_final: 0.9022 (ptpp) REVERT: QD 13 ASP cc_start: 0.8930 (t0) cc_final: 0.8626 (t0) REVERT: QE 12 LYS cc_start: 0.8893 (OUTLIER) cc_final: 0.8692 (ttmm) REVERT: QG 9 LYS cc_start: 0.9278 (tptt) cc_final: 0.8871 (tptm) REVERT: QG 13 ASP cc_start: 0.8652 (m-30) cc_final: 0.7856 (m-30) REVERT: QH 6 LYS cc_start: 0.9297 (ptmt) cc_final: 0.8950 (ptpp) REVERT: QH 12 LYS cc_start: 0.9403 (tmmt) cc_final: 0.9053 (tmmt) REVERT: QK 9 LYS cc_start: 0.9213 (tptm) cc_final: 0.8812 (tptm) REVERT: QL 6 LYS cc_start: 0.9208 (ptmm) cc_final: 0.8986 (ptmm) REVERT: QL 12 LYS cc_start: 0.9308 (tmmt) cc_final: 0.9091 (tmmt) REVERT: QN 2 GLU cc_start: 0.8427 (pm20) cc_final: 0.8092 (pm20) REVERT: QO 9 LYS cc_start: 0.9160 (tptt) cc_final: 0.8916 (tptm) REVERT: QO 13 ASP cc_start: 0.8553 (m-30) cc_final: 0.8175 (m-30) REVERT: QP 12 LYS cc_start: 0.9345 (tmmt) cc_final: 0.9026 (tmmt) REVERT: QP 15 LEU cc_start: 0.8788 (OUTLIER) cc_final: 0.8482 (tp) REVERT: QP 18 PHE cc_start: 0.8724 (t80) cc_final: 0.8333 (t80) REVERT: QQ 1 MET cc_start: 0.7110 (ttp) cc_final: 0.6196 (tmm) REVERT: QQ 3 PHE cc_start: 0.8752 (m-80) cc_final: 0.8519 (m-10) REVERT: QS 2 GLU cc_start: 0.8700 (tp30) cc_final: 0.8474 (tp30) REVERT: QT 13 ASP cc_start: 0.8814 (t0) cc_final: 0.8525 (t0) REVERT: QU 2 GLU cc_start: 0.7187 (tm-30) cc_final: 0.6871 (tm-30) REVERT: QX 1 MET cc_start: 0.7234 (mtm) cc_final: 0.6895 (mtm) REVERT: QX 6 LYS cc_start: 0.9274 (ptmt) cc_final: 0.8773 (ptpp) REVERT: QX 21 ASN cc_start: 0.7500 (p0) cc_final: 0.7129 (p0) REVERT: QZ 1 MET cc_start: 0.7151 (ptt) cc_final: 0.6946 (ptt) REVERT: QZ 12 LYS cc_start: 0.9122 (ttpt) cc_final: 0.8668 (tppt) REVERT: Q0 9 LYS cc_start: 0.9285 (tptm) cc_final: 0.9012 (tptt) REVERT: Q0 13 ASP cc_start: 0.8619 (m-30) cc_final: 0.8129 (m-30) REVERT: Q1 13 ASP cc_start: 0.8908 (t0) cc_final: 0.8545 (t0) REVERT: Q1 21 ASN cc_start: 0.7550 (p0) cc_final: 0.7177 (p0) REVERT: Q4 2 GLU cc_start: 0.9001 (tp30) cc_final: 0.8601 (tp30) REVERT: Q4 6 LYS cc_start: 0.9410 (mmtt) cc_final: 0.9097 (mmtp) REVERT: Q4 9 LYS cc_start: 0.9194 (tptt) cc_final: 0.8952 (tptp) REVERT: Q5 13 ASP cc_start: 0.8784 (t0) cc_final: 0.8501 (t0) REVERT: Q7 2 GLU cc_start: 0.8487 (pm20) cc_final: 0.8210 (pm20) REVERT: Q8 2 GLU cc_start: 0.8886 (tp30) cc_final: 0.8106 (tp30) REVERT: Q8 6 LYS cc_start: 0.9435 (mmtt) cc_final: 0.8940 (mmtp) REVERT: Q8 9 LYS cc_start: 0.9206 (tptt) cc_final: 0.8917 (tptt) REVERT: Q8 13 ASP cc_start: 0.8715 (m-30) cc_final: 0.8166 (m-30) REVERT: Q9 1 MET cc_start: 0.7413 (mtm) cc_final: 0.7106 (mtm) REVERT: RA 1 MET cc_start: 0.6470 (ttm) cc_final: 0.6203 (ttm) REVERT: RC 9 LYS cc_start: 0.9193 (tptt) cc_final: 0.8960 (tptm) REVERT: RC 13 ASP cc_start: 0.8634 (m-30) cc_final: 0.8177 (m-30) REVERT: RD 6 LYS cc_start: 0.9298 (ptmt) cc_final: 0.8948 (ptpp) REVERT: RD 15 LEU cc_start: 0.8779 (OUTLIER) cc_final: 0.8445 (tt) REVERT: RF 2 GLU cc_start: 0.8191 (pm20) cc_final: 0.7856 (pm20) REVERT: RG 9 LYS cc_start: 0.9275 (tptt) cc_final: 0.9002 (tptm) REVERT: RG 13 ASP cc_start: 0.8679 (m-30) cc_final: 0.8077 (m-30) REVERT: RH 13 ASP cc_start: 0.8789 (t0) cc_final: 0.8479 (t0) REVERT: RJ 12 LYS cc_start: 0.9136 (tttm) cc_final: 0.8622 (tptp) REVERT: RK 9 LYS cc_start: 0.9173 (tptm) cc_final: 0.8872 (tptt) REVERT: RK 18 PHE cc_start: 0.8855 (OUTLIER) cc_final: 0.8341 (t80) REVERT: RL 13 ASP cc_start: 0.8910 (t0) cc_final: 0.8679 (t70) REVERT: RN 12 LYS cc_start: 0.9007 (tptm) cc_final: 0.8522 (tppt) REVERT: RO 9 LYS cc_start: 0.9205 (tptt) cc_final: 0.8722 (tptp) REVERT: RO 13 ASP cc_start: 0.8750 (m-30) cc_final: 0.7458 (m-30) REVERT: RO 19 LEU cc_start: 0.8091 (OUTLIER) cc_final: 0.7868 (tt) REVERT: RP 12 LYS cc_start: 0.9465 (tmmt) cc_final: 0.9193 (tmmt) REVERT: RQ 13 ASP cc_start: 0.8482 (OUTLIER) cc_final: 0.8249 (p0) REVERT: RT 6 LYS cc_start: 0.9343 (ptmt) cc_final: 0.8975 (ptpp) REVERT: RU 2 GLU cc_start: 0.8650 (tp30) cc_final: 0.8444 (tp30) REVERT: RV 2 GLU cc_start: 0.8269 (pm20) cc_final: 0.7862 (pm20) REVERT: RV 12 LYS cc_start: 0.9204 (tttt) cc_final: 0.8558 (tptp) REVERT: RW 1 MET cc_start: 0.3950 (OUTLIER) cc_final: 0.2676 (mmt) REVERT: RW 9 LYS cc_start: 0.9305 (tptt) cc_final: 0.8972 (tptm) REVERT: RW 13 ASP cc_start: 0.8583 (m-30) cc_final: 0.7965 (m-30) REVERT: RY 1 MET cc_start: 0.6752 (ttt) cc_final: 0.6388 (ttt) REVERT: R0 2 GLU cc_start: 0.8885 (tp30) cc_final: 0.8421 (tp30) REVERT: R0 6 LYS cc_start: 0.9374 (mmtt) cc_final: 0.9029 (mmtp) REVERT: R1 6 LYS cc_start: 0.9325 (ptmt) cc_final: 0.9035 (ptpp) REVERT: R3 2 GLU cc_start: 0.8486 (pm20) cc_final: 0.8212 (pm20) REVERT: R4 9 LYS cc_start: 0.9230 (tptm) cc_final: 0.8924 (tptm) REVERT: R4 13 ASP cc_start: 0.8896 (OUTLIER) cc_final: 0.8600 (m-30) REVERT: R5 6 LYS cc_start: 0.9289 (ptmt) cc_final: 0.8927 (ptmt) REVERT: R5 13 ASP cc_start: 0.8912 (t0) cc_final: 0.8647 (t70) REVERT: R7 9 LYS cc_start: 0.9244 (tppt) cc_final: 0.9029 (ttmm) REVERT: R8 9 LYS cc_start: 0.9227 (tptm) cc_final: 0.8557 (tptp) REVERT: R8 13 ASP cc_start: 0.8824 (m-30) cc_final: 0.7724 (m-30) REVERT: SC 9 LYS cc_start: 0.9249 (tptt) cc_final: 0.8842 (tptm) REVERT: SC 13 ASP cc_start: 0.8579 (m-30) cc_final: 0.7941 (m-30) REVERT: SD 6 LYS cc_start: 0.9230 (ptpt) cc_final: 0.9001 (ptpp) REVERT: SF 13 ASP cc_start: 0.8905 (t0) cc_final: 0.8631 (t0) REVERT: SG 2 GLU cc_start: 0.9101 (tp30) cc_final: 0.8709 (tp30) REVERT: SG 6 LYS cc_start: 0.9373 (mmtt) cc_final: 0.9051 (mmtm) REVERT: SG 9 LYS cc_start: 0.9261 (tptm) cc_final: 0.8912 (tptm) REVERT: SG 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.7774 (m-30) REVERT: SI 2 GLU cc_start: 0.8482 (tp30) cc_final: 0.8227 (tp30) REVERT: SI 13 ASP cc_start: 0.8351 (OUTLIER) cc_final: 0.8137 (p0) REVERT: SJ 12 LYS cc_start: 0.9240 (OUTLIER) cc_final: 0.8717 (tppt) REVERT: SK 2 GLU cc_start: 0.8703 (tp30) cc_final: 0.8005 (tp30) REVERT: SK 6 LYS cc_start: 0.9333 (mmtm) cc_final: 0.8886 (mtpp) REVERT: SK 9 LYS cc_start: 0.9299 (tptm) cc_final: 0.9031 (tptm) REVERT: SK 13 ASP cc_start: 0.8677 (m-30) cc_final: 0.8389 (m-30) REVERT: SL 6 LYS cc_start: 0.9154 (ptmt) cc_final: 0.8930 (ptpp) REVERT: SO 2 GLU cc_start: 0.8785 (tp30) cc_final: 0.8585 (tp30) REVERT: SP 1 MET cc_start: 0.7382 (mtm) cc_final: 0.7113 (mtm) REVERT: SP 11 PHE cc_start: 0.8933 (OUTLIER) cc_final: 0.8657 (m-10) REVERT: SQ 13 ASP cc_start: 0.8447 (OUTLIER) cc_final: 0.8230 (p0) REVERT: SS 9 LYS cc_start: 0.9240 (tptm) cc_final: 0.8746 (tptt) REVERT: SS 19 LEU cc_start: 0.7885 (OUTLIER) cc_final: 0.7619 (tt) REVERT: ST 13 ASP cc_start: 0.8804 (t0) cc_final: 0.8567 (t0) REVERT: SV 12 LYS cc_start: 0.9282 (ttpt) cc_final: 0.8853 (tppt) REVERT: SW 9 LYS cc_start: 0.9130 (tptm) cc_final: 0.8846 (tptm) REVERT: SW 13 ASP cc_start: 0.8845 (m-30) cc_final: 0.8479 (m-30) REVERT: SW 18 PHE cc_start: 0.8776 (OUTLIER) cc_final: 0.8457 (t80) REVERT: SX 6 LYS cc_start: 0.9225 (ptmt) cc_final: 0.8935 (ptpp) REVERT: S0 9 LYS cc_start: 0.9015 (tptt) cc_final: 0.8729 (tptm) REVERT: S0 13 ASP cc_start: 0.8656 (m-30) cc_final: 0.7951 (m-30) REVERT: S1 6 LYS cc_start: 0.9272 (ptpt) cc_final: 0.8934 (pttt) REVERT: S4 9 LYS cc_start: 0.9214 (tptm) cc_final: 0.8810 (tptt) REVERT: S4 13 ASP cc_start: 0.8622 (m-30) cc_final: 0.7721 (m-30) REVERT: S4 17 LYS cc_start: 0.9076 (mtpt) cc_final: 0.8521 (mtpp) REVERT: S4 18 PHE cc_start: 0.8859 (OUTLIER) cc_final: 0.8476 (t80) REVERT: S5 6 LYS cc_start: 0.9321 (ptmt) cc_final: 0.8917 (ptpt) REVERT: S7 11 PHE cc_start: 0.9092 (m-10) cc_final: 0.8804 (m-80) REVERT: S8 9 LYS cc_start: 0.9227 (tptm) cc_final: 0.9005 (tptt) REVERT: TB 1 MET cc_start: 0.6735 (ptt) cc_final: 0.6492 (ptt) REVERT: TB 9 LYS cc_start: 0.9282 (tppt) cc_final: 0.9066 (ttmm) REVERT: TB 12 LYS cc_start: 0.9203 (ttpt) cc_final: 0.8647 (tptp) REVERT: TC 13 ASP cc_start: 0.8697 (m-30) cc_final: 0.8392 (m-30) REVERT: TE 1 MET cc_start: 0.7366 (ttt) cc_final: 0.6895 (tpp) REVERT: TE 13 ASP cc_start: 0.8654 (OUTLIER) cc_final: 0.8406 (p0) REVERT: TF 9 LYS cc_start: 0.9267 (tppt) cc_final: 0.9029 (ttmm) REVERT: TK 9 LYS cc_start: 0.9229 (tptt) cc_final: 0.8782 (tptm) REVERT: TK 12 LYS cc_start: 0.9071 (ttmt) cc_final: 0.8637 (mptt) REVERT: TK 13 ASP cc_start: 0.8720 (m-30) cc_final: 0.7957 (m-30) REVERT: TL 6 LYS cc_start: 0.9259 (ptmt) cc_final: 0.8932 (ptpp) REVERT: TM 1 MET cc_start: 0.6907 (tmm) cc_final: 0.6011 (tmm) REVERT: TM 2 GLU cc_start: 0.7767 (tm-30) cc_final: 0.7321 (tm-30) REVERT: TO 9 LYS cc_start: 0.9226 (tptt) cc_final: 0.8643 (tptm) REVERT: TO 12 LYS cc_start: 0.9188 (ttmt) cc_final: 0.8930 (mptt) REVERT: TO 13 ASP cc_start: 0.8743 (m-30) cc_final: 0.7767 (m-30) REVERT: TO 17 LYS cc_start: 0.9181 (mtpp) cc_final: 0.8851 (mtpp) REVERT: TP 13 ASP cc_start: 0.8711 (t0) cc_final: 0.8382 (t0) REVERT: TQ 1 MET cc_start: 0.6403 (tmm) cc_final: 0.5918 (tmm) REVERT: TR 12 LYS cc_start: 0.9185 (tttm) cc_final: 0.8799 (tptt) REVERT: TS 13 ASP cc_start: 0.8531 (m-30) cc_final: 0.8262 (m-30) REVERT: TT 12 LYS cc_start: 0.9404 (tmmt) cc_final: 0.9183 (tmmt) REVERT: TV 1 MET cc_start: 0.7793 (OUTLIER) cc_final: 0.7550 (ptm) REVERT: TV 12 LYS cc_start: 0.9113 (tttm) cc_final: 0.8695 (tppt) REVERT: TW 9 LYS cc_start: 0.9164 (tptt) cc_final: 0.8902 (tptm) REVERT: TW 12 LYS cc_start: 0.9093 (ttmt) cc_final: 0.8807 (mptt) REVERT: TW 13 ASP cc_start: 0.8660 (m-30) cc_final: 0.8074 (m-30) REVERT: TX 1 MET cc_start: 0.6972 (mtm) cc_final: 0.6722 (mtm) REVERT: TZ 2 GLU cc_start: 0.8376 (pm20) cc_final: 0.8113 (pm20) REVERT: TZ 12 LYS cc_start: 0.9125 (tttm) cc_final: 0.8842 (tppt) REVERT: TZ 13 ASP cc_start: 0.9089 (t0) cc_final: 0.8663 (t0) REVERT: T0 9 LYS cc_start: 0.9194 (tptm) cc_final: 0.8854 (tptm) REVERT: T0 12 LYS cc_start: 0.9078 (ttmt) cc_final: 0.8807 (mptt) REVERT: T3 1 MET cc_start: 0.7501 (ptp) cc_final: 0.7167 (ptm) REVERT: T4 9 LYS cc_start: 0.9316 (tptt) cc_final: 0.8926 (tptp) REVERT: T4 13 ASP cc_start: 0.8559 (m-30) cc_final: 0.7692 (m-30) REVERT: T5 12 LYS cc_start: 0.9364 (tmmt) cc_final: 0.9033 (tmmt) REVERT: T5 21 ASN cc_start: 0.6889 (p0) cc_final: 0.6476 (p0) REVERT: T6 8 PHE cc_start: 0.9053 (m-80) cc_final: 0.8828 (m-80) REVERT: T7 12 LYS cc_start: 0.9168 (tttm) cc_final: 0.8752 (tppt) REVERT: T8 2 GLU cc_start: 0.8703 (tp30) cc_final: 0.8364 (tp30) REVERT: T8 9 LYS cc_start: 0.9153 (tptt) cc_final: 0.8677 (tptm) REVERT: T8 12 LYS cc_start: 0.9144 (ttmt) cc_final: 0.8849 (mptt) REVERT: T8 13 ASP cc_start: 0.8574 (m-30) cc_final: 0.7700 (m-30) REVERT: UB 9 LYS cc_start: 0.9115 (tppt) cc_final: 0.8858 (ttmm) REVERT: UB 12 LYS cc_start: 0.9080 (tttm) cc_final: 0.8849 (tppt) REVERT: UB 13 ASP cc_start: 0.8944 (t0) cc_final: 0.8524 (t0) REVERT: UC 12 LYS cc_start: 0.9044 (ttmt) cc_final: 0.8560 (mptt) REVERT: UD 21 ASN cc_start: 0.7066 (p0) cc_final: 0.6771 (p0) REVERT: UE 1 MET cc_start: 0.6852 (ttp) cc_final: 0.6638 (ttm) REVERT: UE 2 GLU cc_start: 0.8532 (tp30) cc_final: 0.8017 (tp30) REVERT: UG 2 GLU cc_start: 0.8878 (tp30) cc_final: 0.8453 (tp30) REVERT: UG 9 LYS cc_start: 0.9207 (tptm) cc_final: 0.8430 (tptt) REVERT: UG 12 LYS cc_start: 0.9096 (ttmt) cc_final: 0.8770 (mptt) REVERT: UG 13 ASP cc_start: 0.8594 (m-30) cc_final: 0.7543 (m-30) REVERT: UH 6 LYS cc_start: 0.9266 (ptmt) cc_final: 0.8910 (ptpp) REVERT: UI 1 MET cc_start: 0.6037 (tmm) cc_final: 0.5648 (tmm) REVERT: UJ 9 LYS cc_start: 0.9177 (tppt) cc_final: 0.8933 (ttmm) REVERT: UK 9 LYS cc_start: 0.9151 (tptt) cc_final: 0.8737 (tptp) REVERT: UK 13 ASP cc_start: 0.8751 (m-30) cc_final: 0.7777 (m-30) REVERT: UL 13 ASP cc_start: 0.8828 (t0) cc_final: 0.8575 (t0) REVERT: UL 15 LEU cc_start: 0.8461 (OUTLIER) cc_final: 0.8222 (tt) REVERT: UL 21 ASN cc_start: 0.7728 (p0) cc_final: 0.7327 (p0) REVERT: UO 1 MET cc_start: 0.4406 (OUTLIER) cc_final: 0.3461 (mmt) REVERT: UP 12 LYS cc_start: 0.9406 (tmmt) cc_final: 0.9101 (tmmt) REVERT: UQ 1 MET cc_start: 0.7315 (ttp) cc_final: 0.6993 (ttm) REVERT: UQ 2 GLU cc_start: 0.8171 (tp30) cc_final: 0.7966 (tp30) REVERT: US 9 LYS cc_start: 0.9163 (tptt) cc_final: 0.8781 (tptm) REVERT: US 13 ASP cc_start: 0.8611 (m-30) cc_final: 0.7831 (m-30) REVERT: UT 6 LYS cc_start: 0.9227 (ptmt) cc_final: 0.9006 (ptpp) REVERT: UU 9 LYS cc_start: 0.9296 (tppt) cc_final: 0.9034 (tppt) outliers start: 707 outliers final: 438 residues processed: 5988 average time/residue: 1.2835 time to fit residues: 13185.1194 Evaluate side-chains 5784 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 509 poor density : 5275 time to evaluate : 13.355 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain B residue 11 PHE Chi-restraints excluded: chain C residue 2 GLU Chi-restraints excluded: chain C residue 4 VAL Chi-restraints excluded: chain C residue 14 LEU Chi-restraints excluded: chain E residue 15 LEU Chi-restraints excluded: chain F residue 15 LEU Chi-restraints excluded: chain G residue 4 VAL Chi-restraints excluded: chain L residue 15 LEU Chi-restraints excluded: chain O residue 4 VAL Chi-restraints excluded: chain Q residue 18 PHE Chi-restraints excluded: chain R residue 11 PHE Chi-restraints excluded: chain R residue 12 LYS Chi-restraints excluded: chain S residue 2 GLU Chi-restraints excluded: chain T residue 14 LEU Chi-restraints excluded: chain W residue 4 VAL Chi-restraints excluded: chain Y residue 19 LEU Chi-restraints excluded: chain Z residue 22 ASN Chi-restraints excluded: chain 0 residue 4 VAL Chi-restraints excluded: chain 0 residue 19 LEU Chi-restraints excluded: chain 3 residue 11 PHE Chi-restraints excluded: chain 4 residue 2 GLU Chi-restraints excluded: chain 4 residue 4 VAL Chi-restraints excluded: chain 5 residue 14 LEU Chi-restraints excluded: chain 6 residue 19 LEU Chi-restraints excluded: chain 7 residue 22 ASN Chi-restraints excluded: chain 8 residue 1 MET Chi-restraints excluded: chain 8 residue 4 VAL Chi-restraints excluded: chain 9 residue 14 LEU Chi-restraints excluded: chain b residue 11 PHE Chi-restraints excluded: chain d residue 15 LEU Chi-restraints excluded: chain e residue 15 LEU Chi-restraints excluded: chain f residue 22 ASN Chi-restraints excluded: chain k residue 2 GLU Chi-restraints excluded: chain m residue 4 VAL Chi-restraints excluded: chain m residue 15 LEU Chi-restraints excluded: chain o residue 2 GLU Chi-restraints excluded: chain s residue 2 GLU Chi-restraints excluded: chain v residue 3 PHE Chi-restraints excluded: chain v residue 11 PHE Chi-restraints excluded: chain w residue 4 VAL Chi-restraints excluded: chain z residue 15 LEU Chi-restraints excluded: chain AA residue 1 MET Chi-restraints excluded: chain AA residue 4 VAL Chi-restraints excluded: chain AB residue 9 LYS Chi-restraints excluded: chain AE residue 4 VAL Chi-restraints excluded: chain AI residue 4 VAL Chi-restraints excluded: chain AM residue 4 VAL Chi-restraints excluded: chain AO residue 19 LEU Chi-restraints excluded: chain AQ residue 1 MET Chi-restraints excluded: chain AT residue 3 PHE Chi-restraints excluded: chain AU residue 7 LEU Chi-restraints excluded: chain AW residue 18 PHE Chi-restraints excluded: chain AX residue 3 PHE Chi-restraints excluded: chain AX residue 21 ASN Chi-restraints excluded: chain AY residue 4 VAL Chi-restraints excluded: chain AZ residue 14 LEU Chi-restraints excluded: chain A0 residue 15 LEU Chi-restraints excluded: chain A0 residue 19 LEU Chi-restraints excluded: chain A2 residue 4 VAL Chi-restraints excluded: chain A4 residue 15 LEU Chi-restraints excluded: chain A5 residue 11 PHE Chi-restraints excluded: chain A6 residue 4 VAL Chi-restraints excluded: chain BA residue 4 VAL Chi-restraints excluded: chain BC residue 15 LEU Chi-restraints excluded: chain BD residue 11 PHE Chi-restraints excluded: chain BE residue 4 VAL Chi-restraints excluded: chain BF residue 14 LEU Chi-restraints excluded: chain BG residue 14 LEU Chi-restraints excluded: chain BH residue 11 PHE Chi-restraints excluded: chain BI residue 4 VAL Chi-restraints excluded: chain BJ residue 14 LEU Chi-restraints excluded: chain BJ residue 15 LEU Chi-restraints excluded: chain BM residue 4 VAL Chi-restraints excluded: chain BN residue 14 LEU Chi-restraints excluded: chain BO residue 18 PHE Chi-restraints excluded: chain BQ residue 4 VAL Chi-restraints excluded: chain BR residue 14 LEU Chi-restraints excluded: chain BT residue 22 ASN Chi-restraints excluded: chain BU residue 4 VAL Chi-restraints excluded: chain BX residue 9 LYS Chi-restraints excluded: chain BY residue 4 VAL Chi-restraints excluded: chain B3 residue 15 LEU Chi-restraints excluded: chain B6 residue 1 MET Chi-restraints excluded: chain B6 residue 4 VAL Chi-restraints excluded: chain CA residue 4 VAL Chi-restraints excluded: chain CC residue 19 LEU Chi-restraints excluded: chain CD residue 22 ASN Chi-restraints excluded: chain CE residue 4 VAL Chi-restraints excluded: chain CI residue 4 VAL Chi-restraints excluded: chain CO residue 17 LYS Chi-restraints excluded: chain CQ residue 4 VAL Chi-restraints excluded: chain CR residue 14 LEU Chi-restraints excluded: chain CR residue 19 LEU Chi-restraints excluded: chain CU residue 1 MET Chi-restraints excluded: chain CU residue 13 ASP Chi-restraints excluded: chain CU residue 14 LEU Chi-restraints excluded: chain CZ residue 14 LEU Chi-restraints excluded: chain C1 residue 11 PHE Chi-restraints excluded: chain C1 residue 22 ASN Chi-restraints excluded: chain C2 residue 4 VAL Chi-restraints excluded: chain C4 residue 15 LEU Chi-restraints excluded: chain C5 residue 11 PHE Chi-restraints excluded: chain C6 residue 4 VAL Chi-restraints excluded: chain C9 residue 11 PHE Chi-restraints excluded: chain DA residue 4 VAL Chi-restraints excluded: chain DA residue 14 LEU Chi-restraints excluded: chain DD residue 11 PHE Chi-restraints excluded: chain DE residue 4 VAL Chi-restraints excluded: chain DI residue 4 VAL Chi-restraints excluded: chain DJ residue 14 LEU Chi-restraints excluded: chain DK residue 15 LEU Chi-restraints excluded: chain DK residue 17 LYS Chi-restraints excluded: chain DL residue 3 PHE Chi-restraints excluded: chain DL residue 11 PHE Chi-restraints excluded: chain DL residue 12 LYS Chi-restraints excluded: chain DM residue 4 VAL Chi-restraints excluded: chain DN residue 14 LEU Chi-restraints excluded: chain DQ residue 4 VAL Chi-restraints excluded: chain DT residue 3 PHE Chi-restraints excluded: chain DT residue 11 PHE Chi-restraints excluded: chain DT residue 22 ASN Chi-restraints excluded: chain DU residue 4 VAL Chi-restraints excluded: chain DV residue 14 LEU Chi-restraints excluded: chain D0 residue 18 PHE Chi-restraints excluded: chain D1 residue 22 ASN Chi-restraints excluded: chain D2 residue 13 ASP Chi-restraints excluded: chain D3 residue 14 LEU Chi-restraints excluded: chain D5 residue 14 LEU Chi-restraints excluded: chain D5 residue 21 ASN Chi-restraints excluded: chain D6 residue 4 VAL Chi-restraints excluded: chain D6 residue 13 ASP Chi-restraints excluded: chain EA residue 4 VAL Chi-restraints excluded: chain ED residue 14 LEU Chi-restraints excluded: chain EE residue 4 VAL Chi-restraints excluded: chain EF residue 14 LEU Chi-restraints excluded: chain EI residue 4 VAL Chi-restraints excluded: chain EL residue 3 PHE Chi-restraints excluded: chain EL residue 7 LEU Chi-restraints excluded: chain EL residue 11 PHE Chi-restraints excluded: chain EM residue 4 VAL Chi-restraints excluded: chain EP residue 22 ASN Chi-restraints excluded: chain EQ residue 1 MET Chi-restraints excluded: chain ER residue 14 LEU Chi-restraints excluded: chain EU residue 14 LEU Chi-restraints excluded: chain EV residue 14 LEU Chi-restraints excluded: chain EY residue 4 VAL Chi-restraints excluded: chain EY residue 13 ASP Chi-restraints excluded: chain EZ residue 14 LEU Chi-restraints excluded: chain E1 residue 11 PHE Chi-restraints excluded: chain E2 residue 4 VAL Chi-restraints excluded: chain E6 residue 4 VAL Chi-restraints excluded: chain E9 residue 11 PHE Chi-restraints excluded: chain FA residue 4 VAL Chi-restraints excluded: chain FC residue 19 LEU Chi-restraints excluded: chain FD residue 11 PHE Chi-restraints excluded: chain FE residue 4 VAL Chi-restraints excluded: chain FH residue 11 PHE Chi-restraints excluded: chain FI residue 4 VAL Chi-restraints excluded: chain FK residue 15 LEU Chi-restraints excluded: chain FM residue 4 VAL Chi-restraints excluded: chain FM residue 13 ASP Chi-restraints excluded: chain FN residue 14 LEU Chi-restraints excluded: chain FO residue 15 LEU Chi-restraints excluded: chain FP residue 11 PHE Chi-restraints excluded: chain FQ residue 4 VAL Chi-restraints excluded: chain FS residue 15 LEU Chi-restraints excluded: chain FU residue 4 VAL Chi-restraints excluded: chain FW residue 15 LEU Chi-restraints excluded: chain FX residue 11 PHE Chi-restraints excluded: chain FY residue 4 VAL Chi-restraints excluded: chain FZ residue 14 LEU Chi-restraints excluded: chain F2 residue 1 MET Chi-restraints excluded: chain F4 residue 15 LEU Chi-restraints excluded: chain F7 residue 14 LEU Chi-restraints excluded: chain GA residue 1 MET Chi-restraints excluded: chain GC residue 2 GLU Chi-restraints excluded: chain GE residue 4 VAL Chi-restraints excluded: chain GG residue 17 LYS Chi-restraints excluded: chain GH residue 21 ASN Chi-restraints excluded: chain GJ residue 14 LEU Chi-restraints excluded: chain GM residue 7 LEU Chi-restraints excluded: chain GN residue 14 LEU Chi-restraints excluded: chain GS residue 1 MET Chi-restraints excluded: chain GS residue 19 LEU Chi-restraints excluded: chain GT residue 11 PHE Chi-restraints excluded: chain GU residue 4 VAL Chi-restraints excluded: chain GY residue 4 VAL Chi-restraints excluded: chain G0 residue 13 ASP Chi-restraints excluded: chain G1 residue 3 PHE Chi-restraints excluded: chain G2 residue 4 VAL Chi-restraints excluded: chain G3 residue 14 LEU Chi-restraints excluded: chain G6 residue 4 VAL Chi-restraints excluded: chain G6 residue 13 ASP Chi-restraints excluded: chain G9 residue 21 ASN Chi-restraints excluded: chain HA residue 4 VAL Chi-restraints excluded: chain HA residue 13 ASP Chi-restraints excluded: chain HE residue 1 MET Chi-restraints excluded: chain HE residue 4 VAL Chi-restraints excluded: chain HH residue 11 PHE Chi-restraints excluded: chain HI residue 4 VAL Chi-restraints excluded: chain HL residue 3 PHE Chi-restraints excluded: chain HM residue 4 VAL Chi-restraints excluded: chain HO residue 15 LEU Chi-restraints excluded: chain HP residue 22 ASN Chi-restraints excluded: chain HQ residue 4 VAL Chi-restraints excluded: chain HT residue 11 PHE Chi-restraints excluded: chain HU residue 4 VAL Chi-restraints excluded: chain HW residue 15 LEU Chi-restraints excluded: chain HX residue 11 PHE Chi-restraints excluded: chain HY residue 4 VAL Chi-restraints excluded: chain HY residue 7 LEU Chi-restraints excluded: chain H0 residue 15 LEU Chi-restraints excluded: chain H0 residue 18 PHE Chi-restraints excluded: chain H3 residue 14 LEU Chi-restraints excluded: chain H4 residue 15 LEU Chi-restraints excluded: chain H4 residue 19 LEU Chi-restraints excluded: chain H5 residue 21 ASN Chi-restraints excluded: chain H6 residue 4 VAL Chi-restraints excluded: chain H9 residue 14 LEU Chi-restraints excluded: chain H9 residue 21 ASN Chi-restraints excluded: chain IA residue 1 MET Chi-restraints excluded: chain IA residue 4 VAL Chi-restraints excluded: chain IC residue 4 VAL Chi-restraints excluded: chain IC residue 18 PHE Chi-restraints excluded: chain ID residue 22 ASN Chi-restraints excluded: chain IF residue 14 LEU Chi-restraints excluded: chain II residue 4 VAL Chi-restraints excluded: chain IK residue 4 VAL Chi-restraints excluded: chain IK residue 15 LEU Chi-restraints excluded: chain IL residue 15 LEU Chi-restraints excluded: chain IM residue 1 MET Chi-restraints excluded: chain IM residue 4 VAL Chi-restraints excluded: chain IM residue 13 ASP Chi-restraints excluded: chain IN residue 14 LEU Chi-restraints excluded: chain IN residue 19 LEU Chi-restraints excluded: chain IP residue 3 PHE Chi-restraints excluded: chain IP residue 11 PHE Chi-restraints excluded: chain IP residue 14 LEU Chi-restraints excluded: chain IQ residue 4 VAL Chi-restraints excluded: chain IR residue 14 LEU Chi-restraints excluded: chain IU residue 4 VAL Chi-restraints excluded: chain IU residue 13 ASP Chi-restraints excluded: chain IV residue 14 LEU Chi-restraints excluded: chain IY residue 1 MET Chi-restraints excluded: chain I0 residue 15 LEU Chi-restraints excluded: chain I2 residue 4 VAL Chi-restraints excluded: chain I6 residue 4 VAL Chi-restraints excluded: chain JB residue 14 LEU Chi-restraints excluded: chain JF residue 14 LEU Chi-restraints excluded: chain JG residue 13 ASP Chi-restraints excluded: chain JG residue 15 LEU Chi-restraints excluded: chain JI residue 4 VAL Chi-restraints excluded: chain JK residue 18 PHE Chi-restraints excluded: chain JL residue 11 PHE Chi-restraints excluded: chain JO residue 15 LEU Chi-restraints excluded: chain JQ residue 4 VAL Chi-restraints excluded: chain JS residue 15 LEU Chi-restraints excluded: chain JT residue 11 PHE Chi-restraints excluded: chain JU residue 4 VAL Chi-restraints excluded: chain JU residue 13 ASP Chi-restraints excluded: chain JV residue 14 LEU Chi-restraints excluded: chain JX residue 12 LYS Chi-restraints excluded: chain JX residue 22 ASN Chi-restraints excluded: chain JY residue 4 VAL Chi-restraints excluded: chain J1 residue 11 PHE Chi-restraints excluded: chain J1 residue 13 ASP Chi-restraints excluded: chain J5 residue 12 LYS Chi-restraints excluded: chain J6 residue 4 VAL Chi-restraints excluded: chain J7 residue 14 LEU Chi-restraints excluded: chain J8 residue 19 LEU Chi-restraints excluded: chain J9 residue 15 LEU Chi-restraints excluded: chain KA residue 4 VAL Chi-restraints excluded: chain KC residue 19 LEU Chi-restraints excluded: chain KE residue 4 VAL Chi-restraints excluded: chain KH residue 11 PHE Chi-restraints excluded: chain KI residue 4 VAL Chi-restraints excluded: chain KM residue 4 VAL Chi-restraints excluded: chain KO residue 15 LEU Chi-restraints excluded: chain KQ residue 4 VAL Chi-restraints excluded: chain KR residue 14 LEU Chi-restraints excluded: chain KR residue 19 LEU Chi-restraints excluded: chain KU residue 4 VAL Chi-restraints excluded: chain K4 residue 15 LEU Chi-restraints excluded: chain K6 residue 4 VAL Chi-restraints excluded: chain K9 residue 11 PHE Chi-restraints excluded: chain K9 residue 22 ASN Chi-restraints excluded: chain LA residue 4 VAL Chi-restraints excluded: chain LB residue 14 LEU Chi-restraints excluded: chain LD residue 14 LEU Chi-restraints excluded: chain LE residue 4 VAL Chi-restraints excluded: chain LH residue 21 ASN Chi-restraints excluded: chain LH residue 22 ASN Chi-restraints excluded: chain LI residue 4 VAL Chi-restraints excluded: chain LL residue 11 PHE Chi-restraints excluded: chain LM residue 4 VAL Chi-restraints excluded: chain LM residue 19 LEU Chi-restraints excluded: chain LP residue 14 LEU Chi-restraints excluded: chain LQ residue 4 VAL Chi-restraints excluded: chain LT residue 3 PHE Chi-restraints excluded: chain LU residue 4 VAL Chi-restraints excluded: chain LU residue 15 LEU Chi-restraints excluded: chain LV residue 14 LEU Chi-restraints excluded: chain LZ residue 15 LEU Chi-restraints excluded: chain L0 residue 19 LEU Chi-restraints excluded: chain L2 residue 4 VAL Chi-restraints excluded: chain L6 residue 4 VAL Chi-restraints excluded: chain MG residue 1 MET Chi-restraints excluded: chain MG residue 15 LEU Chi-restraints excluded: chain MI residue 4 VAL Chi-restraints excluded: chain MK residue 18 PHE Chi-restraints excluded: chain MK residue 19 LEU Chi-restraints excluded: chain ML residue 1 MET Chi-restraints excluded: chain ML residue 22 ASN Chi-restraints excluded: chain MQ residue 4 VAL Chi-restraints excluded: chain MS residue 15 LEU Chi-restraints excluded: chain MU residue 4 VAL Chi-restraints excluded: chain MV residue 14 LEU Chi-restraints excluded: chain MX residue 11 PHE Chi-restraints excluded: chain MX residue 13 ASP Chi-restraints excluded: chain MY residue 4 VAL Chi-restraints excluded: chain M0 residue 15 LEU Chi-restraints excluded: chain M1 residue 13 ASP Chi-restraints excluded: chain M2 residue 4 VAL Chi-restraints excluded: chain M5 residue 3 PHE Chi-restraints excluded: chain M6 residue 14 LEU Chi-restraints excluded: chain M8 residue 14 LEU Chi-restraints excluded: chain M9 residue 3 PHE Chi-restraints excluded: chain NA residue 4 VAL Chi-restraints excluded: chain NH residue 3 PHE Chi-restraints excluded: chain NI residue 4 VAL Chi-restraints excluded: chain NK residue 15 LEU Chi-restraints excluded: chain NL residue 11 PHE Chi-restraints excluded: chain NL residue 12 LYS Chi-restraints excluded: chain NM residue 2 GLU Chi-restraints excluded: chain NM residue 4 VAL Chi-restraints excluded: chain NQ residue 4 VAL Chi-restraints excluded: chain NR residue 14 LEU Chi-restraints excluded: chain NS residue 15 LEU Chi-restraints excluded: chain NT residue 11 PHE Chi-restraints excluded: chain NU residue 4 VAL Chi-restraints excluded: chain N2 residue 4 VAL Chi-restraints excluded: chain N3 residue 14 LEU Chi-restraints excluded: chain N3 residue 15 LEU Chi-restraints excluded: chain N4 residue 15 LEU Chi-restraints excluded: chain N5 residue 13 ASP Chi-restraints excluded: chain N6 residue 4 VAL Chi-restraints excluded: chain N9 residue 3 PHE Chi-restraints excluded: chain N9 residue 11 PHE Chi-restraints excluded: chain N9 residue 21 ASN Chi-restraints excluded: chain OA residue 4 VAL Chi-restraints excluded: chain OD residue 13 ASP Chi-restraints excluded: chain OF residue 14 LEU Chi-restraints excluded: chain OG residue 15 LEU Chi-restraints excluded: chain OH residue 3 PHE Chi-restraints excluded: chain OH residue 22 ASN Chi-restraints excluded: chain OI residue 4 VAL Chi-restraints excluded: chain OL residue 11 PHE Chi-restraints excluded: chain OL residue 15 LEU Chi-restraints excluded: chain OM residue 4 VAL Chi-restraints excluded: chain OQ residue 4 VAL Chi-restraints excluded: chain OT residue 15 LEU Chi-restraints excluded: chain OU residue 4 VAL Chi-restraints excluded: chain OW residue 15 LEU Chi-restraints excluded: chain OX residue 1 MET Chi-restraints excluded: chain OX residue 11 PHE Chi-restraints excluded: chain OY residue 4 VAL Chi-restraints excluded: chain O0 residue 13 ASP Chi-restraints excluded: chain O1 residue 9 LYS Chi-restraints excluded: chain O1 residue 15 LEU Chi-restraints excluded: chain O2 residue 4 VAL Chi-restraints excluded: chain O3 residue 14 LEU Chi-restraints excluded: chain O4 residue 1 MET Chi-restraints excluded: chain O8 residue 15 LEU Chi-restraints excluded: chain O9 residue 3 PHE Chi-restraints excluded: chain PA residue 4 VAL Chi-restraints excluded: chain PB residue 14 LEU Chi-restraints excluded: chain PD residue 11 PHE Chi-restraints excluded: chain PD residue 22 ASN Chi-restraints excluded: chain PE residue 4 VAL Chi-restraints excluded: chain PF residue 14 LEU Chi-restraints excluded: chain PI residue 4 VAL Chi-restraints excluded: chain PJ residue 14 LEU Chi-restraints excluded: chain PL residue 11 PHE Chi-restraints excluded: chain PM residue 4 VAL Chi-restraints excluded: chain PO residue 15 LEU Chi-restraints excluded: chain PQ residue 4 VAL Chi-restraints excluded: chain PS residue 4 VAL Chi-restraints excluded: chain PS residue 18 PHE Chi-restraints excluded: chain PS residue 19 LEU Chi-restraints excluded: chain PT residue 11 PHE Chi-restraints excluded: chain PU residue 1 MET Chi-restraints excluded: chain PU residue 13 ASP Chi-restraints excluded: chain PW residue 15 LEU Chi-restraints excluded: chain PX residue 11 PHE Chi-restraints excluded: chain PZ residue 14 LEU Chi-restraints excluded: chain P0 residue 19 LEU Chi-restraints excluded: chain P1 residue 15 LEU Chi-restraints excluded: chain P1 residue 22 ASN Chi-restraints excluded: chain P2 residue 2 GLU Chi-restraints excluded: chain P2 residue 4 VAL Chi-restraints excluded: chain P6 residue 4 VAL Chi-restraints excluded: chain QA residue 4 VAL Chi-restraints excluded: chain QA residue 13 ASP Chi-restraints excluded: chain QB residue 14 LEU Chi-restraints excluded: chain QC residue 15 LEU Chi-restraints excluded: chain QE residue 4 VAL Chi-restraints excluded: chain QE residue 12 LYS Chi-restraints excluded: chain QJ residue 14 LEU Chi-restraints excluded: chain QN residue 14 LEU Chi-restraints excluded: chain QP residue 15 LEU Chi-restraints excluded: chain QQ residue 4 VAL Chi-restraints excluded: chain QR residue 14 LEU Chi-restraints excluded: chain QR residue 15 LEU Chi-restraints excluded: chain QU residue 4 VAL Chi-restraints excluded: chain QV residue 14 LEU Chi-restraints excluded: chain QW residue 1 MET Chi-restraints excluded: chain QX residue 3 PHE Chi-restraints excluded: chain QX residue 22 ASN Chi-restraints excluded: chain QY residue 4 VAL Chi-restraints excluded: chain Q2 residue 4 VAL Chi-restraints excluded: chain Q3 residue 15 LEU Chi-restraints excluded: chain Q4 residue 15 LEU Chi-restraints excluded: chain RA residue 4 VAL Chi-restraints excluded: chain RA residue 13 ASP Chi-restraints excluded: chain RD residue 15 LEU Chi-restraints excluded: chain RH residue 11 PHE Chi-restraints excluded: chain RI residue 4 VAL Chi-restraints excluded: chain RJ residue 14 LEU Chi-restraints excluded: chain RK residue 15 LEU Chi-restraints excluded: chain RK residue 18 PHE Chi-restraints excluded: chain RM residue 7 LEU Chi-restraints excluded: chain RO residue 19 LEU Chi-restraints excluded: chain RQ residue 13 ASP Chi-restraints excluded: chain RW residue 1 MET Chi-restraints excluded: chain RW residue 15 LEU Chi-restraints excluded: chain RX residue 11 PHE Chi-restraints excluded: chain RY residue 4 VAL Chi-restraints excluded: chain R2 residue 4 VAL Chi-restraints excluded: chain R2 residue 14 LEU Chi-restraints excluded: chain R3 residue 14 LEU Chi-restraints excluded: chain R4 residue 13 ASP Chi-restraints excluded: chain R5 residue 11 PHE Chi-restraints excluded: chain R6 residue 4 VAL Chi-restraints excluded: chain SA residue 13 ASP Chi-restraints excluded: chain SB residue 14 LEU Chi-restraints excluded: chain SE residue 1 MET Chi-restraints excluded: chain SE residue 4 VAL Chi-restraints excluded: chain SF residue 14 LEU Chi-restraints excluded: chain SI residue 4 VAL Chi-restraints excluded: chain SI residue 13 ASP Chi-restraints excluded: chain SJ residue 12 LYS Chi-restraints excluded: chain SK residue 15 LEU Chi-restraints excluded: chain SM residue 4 VAL Chi-restraints excluded: chain SO residue 15 LEU Chi-restraints excluded: chain SP residue 11 PHE Chi-restraints excluded: chain SQ residue 4 VAL Chi-restraints excluded: chain SQ residue 13 ASP Chi-restraints excluded: chain SS residue 19 LEU Chi-restraints excluded: chain ST residue 11 PHE Chi-restraints excluded: chain SV residue 14 LEU Chi-restraints excluded: chain SW residue 18 PHE Chi-restraints excluded: chain SY residue 4 VAL Chi-restraints excluded: chain S1 residue 3 PHE Chi-restraints excluded: chain S2 residue 4 VAL Chi-restraints excluded: chain S4 residue 15 LEU Chi-restraints excluded: chain S4 residue 18 PHE Chi-restraints excluded: chain S6 residue 18 PHE Chi-restraints excluded: chain S7 residue 14 LEU Chi-restraints excluded: chain S8 residue 15 LEU Chi-restraints excluded: chain S9 residue 6 LYS Chi-restraints excluded: chain S9 residue 22 ASN Chi-restraints excluded: chain TA residue 4 VAL Chi-restraints excluded: chain TA residue 13 ASP Chi-restraints excluded: chain TB residue 14 LEU Chi-restraints excluded: chain TD residue 11 PHE Chi-restraints excluded: chain TE residue 4 VAL Chi-restraints excluded: chain TE residue 13 ASP Chi-restraints excluded: chain TJ residue 11 PHE Chi-restraints excluded: chain TM residue 4 VAL Chi-restraints excluded: chain TN residue 14 LEU Chi-restraints excluded: chain TQ residue 4 VAL Chi-restraints excluded: chain TQ residue 13 ASP Chi-restraints excluded: chain TR residue 14 LEU Chi-restraints excluded: chain TT residue 3 PHE Chi-restraints excluded: chain TU residue 4 VAL Chi-restraints excluded: chain TV residue 1 MET Chi-restraints excluded: chain TV residue 14 LEU Chi-restraints excluded: chain TX residue 11 PHE Chi-restraints excluded: chain TX residue 22 ASN Chi-restraints excluded: chain TY residue 1 MET Chi-restraints excluded: chain TY residue 4 VAL Chi-restraints excluded: chain TZ residue 14 LEU Chi-restraints excluded: chain T2 residue 4 VAL Chi-restraints excluded: chain T3 residue 11 PHE Chi-restraints excluded: chain T5 residue 11 PHE Chi-restraints excluded: chain T9 residue 22 ASN Chi-restraints excluded: chain UA residue 4 VAL Chi-restraints excluded: chain UB residue 11 PHE Chi-restraints excluded: chain UD residue 22 ASN Chi-restraints excluded: chain UE residue 4 VAL Chi-restraints excluded: chain UH residue 11 PHE Chi-restraints excluded: chain UI residue 4 VAL Chi-restraints excluded: chain UJ residue 15 LEU Chi-restraints excluded: chain UL residue 15 LEU Chi-restraints excluded: chain UO residue 1 MET Chi-restraints excluded: chain UP residue 11 PHE Chi-restraints excluded: chain UQ residue 4 VAL Chi-restraints excluded: chain UT residue 11 PHE Chi-restraints excluded: chain UU residue 4 VAL Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1608 random chunks: chunk 1499 optimal weight: 10.0000 chunk 175 optimal weight: 8.9990 chunk 886 optimal weight: 8.9990 chunk 1136 optimal weight: 4.9990 chunk 880 optimal weight: 0.9990 chunk 1309 optimal weight: 8.9990 chunk 868 optimal weight: 3.9990 chunk 1549 optimal weight: 5.9990 chunk 969 optimal weight: 8.9990 chunk 944 optimal weight: 1.9990 chunk 715 optimal weight: 2.9990 overall best weight: 2.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** e 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1 22 ASN ** C8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ET 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** FP 22 ASN ** FW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** GT 22 ASN ** G4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HP 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ID 22 ASN ** IG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** JD 22 ASN ** JK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** KP 22 ASN ** K4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ML 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q9 22 ASN ** RD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8518 moved from start: 0.4123 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.031 146328 Z= 0.193 Angle : 0.737 17.078 191955 Z= 0.326 Chirality : 0.034 0.200 19497 Planarity : 0.002 0.017 22914 Dihedral : 3.659 19.306 16281 Min Nonbonded Distance : 2.200 Molprobity Statistics. All-atom Clashscore : 10.21 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.10 % Favored : 97.90 % Rotamer: Outliers : 4.35 % Allowed : 32.15 % Favored : 63.50 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.75 (0.07), residues: 15477 helix: 0.81 (0.04), residues: 14675 sheet: None (None), residues: 0 loop : -3.87 (0.05), residues: 802 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.033 0.001 PHEJZ 11 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6182 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 638 poor density : 5544 time to evaluate : 13.445 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 6 LYS cc_start: 0.9040 (ttmm) cc_final: 0.8183 (tmtt) REVERT: A 9 LYS cc_start: 0.9290 (tptm) cc_final: 0.8586 (tptp) REVERT: A 13 ASP cc_start: 0.8771 (m-30) cc_final: 0.7976 (m-30) REVERT: A 17 LYS cc_start: 0.9285 (mtpp) cc_final: 0.8661 (pptt) REVERT: B 6 LYS cc_start: 0.8994 (ptmt) cc_final: 0.8647 (pttp) REVERT: B 17 LYS cc_start: 0.8699 (ttmm) cc_final: 0.7578 (tmtt) REVERT: C 2 GLU cc_start: 0.7660 (OUTLIER) cc_final: 0.6616 (tm-30) REVERT: D 1 MET cc_start: 0.6966 (ptt) cc_final: 0.4214 (mmt) REVERT: E 6 LYS cc_start: 0.8971 (ttmm) cc_final: 0.8075 (tmtt) REVERT: E 9 LYS cc_start: 0.9123 (tptt) cc_final: 0.8635 (tptp) REVERT: E 13 ASP cc_start: 0.8834 (m-30) cc_final: 0.7588 (m-30) REVERT: E 17 LYS cc_start: 0.9323 (mtpp) cc_final: 0.8628 (pttt) REVERT: F 6 LYS cc_start: 0.8810 (ptmt) cc_final: 0.8337 (pptt) REVERT: F 15 LEU cc_start: 0.8836 (OUTLIER) cc_final: 0.8546 (tp) REVERT: H 1 MET cc_start: 0.6975 (ptt) cc_final: 0.4456 (mmt) REVERT: I 6 LYS cc_start: 0.8998 (ttmm) cc_final: 0.8256 (tmtt) REVERT: I 9 LYS cc_start: 0.9179 (tptt) cc_final: 0.8779 (tptp) REVERT: I 13 ASP cc_start: 0.8843 (m-30) cc_final: 0.8253 (m-30) REVERT: I 17 LYS cc_start: 0.9257 (mtpp) cc_final: 0.8699 (pttt) REVERT: J 1 MET cc_start: 0.7520 (mtm) cc_final: 0.7260 (mtm) REVERT: J 6 LYS cc_start: 0.8772 (ptmt) cc_final: 0.8342 (pttp) REVERT: J 13 ASP cc_start: 0.8771 (t0) cc_final: 0.8536 (t0) REVERT: J 17 LYS cc_start: 0.8848 (ttmm) cc_final: 0.7713 (tmtt) REVERT: K 17 LYS cc_start: 0.8961 (mttt) cc_final: 0.8100 (tttt) REVERT: L 9 LYS cc_start: 0.9173 (tppt) cc_final: 0.8953 (ttmm) REVERT: M 1 MET cc_start: 0.7734 (pmm) cc_final: 0.7392 (pmm) REVERT: M 6 LYS cc_start: 0.9014 (ttmm) cc_final: 0.8106 (tmtt) REVERT: M 17 LYS cc_start: 0.9258 (mtpp) cc_final: 0.8806 (pttt) REVERT: M 18 PHE cc_start: 0.8540 (OUTLIER) cc_final: 0.7770 (t80) REVERT: N 6 LYS cc_start: 0.9046 (ptmt) cc_final: 0.8531 (pttp) REVERT: N 12 LYS cc_start: 0.9303 (tmmt) cc_final: 0.8954 (tmmt) REVERT: P 1 MET cc_start: 0.7283 (ptt) cc_final: 0.4559 (mmt) REVERT: Q 6 LYS cc_start: 0.9003 (ttmm) cc_final: 0.7945 (tmtt) REVERT: Q 9 LYS cc_start: 0.9201 (tptt) cc_final: 0.8913 (tptm) REVERT: Q 13 ASP cc_start: 0.8720 (m-30) cc_final: 0.7846 (m-30) REVERT: Q 17 LYS cc_start: 0.9194 (mtpp) cc_final: 0.8673 (pttt) REVERT: R 6 LYS cc_start: 0.8945 (ptmt) cc_final: 0.8559 (pttp) REVERT: T 12 LYS cc_start: 0.9271 (tttm) cc_final: 0.8977 (tppt) REVERT: U 1 MET cc_start: 0.7890 (pmm) cc_final: 0.7276 (pmm) REVERT: U 6 LYS cc_start: 0.8946 (ttmm) cc_final: 0.7993 (tmtt) REVERT: U 9 LYS cc_start: 0.9244 (tptm) cc_final: 0.8805 (tptt) REVERT: U 17 LYS cc_start: 0.9231 (mtpp) cc_final: 0.8727 (pttt) REVERT: V 6 LYS cc_start: 0.8893 (ptmt) cc_final: 0.8505 (pttp) REVERT: W 1 MET cc_start: 0.7297 (tmm) cc_final: 0.6862 (tmm) REVERT: W 17 LYS cc_start: 0.8876 (mttt) cc_final: 0.8136 (tmtt) REVERT: X 1 MET cc_start: 0.7192 (ptp) cc_final: 0.5024 (mmt) REVERT: X 17 LYS cc_start: 0.5503 (OUTLIER) cc_final: 0.5110 (tttt) REVERT: Y 6 LYS cc_start: 0.8944 (ttmm) cc_final: 0.8235 (tmtt) REVERT: Y 9 LYS cc_start: 0.9141 (tptt) cc_final: 0.8797 (tptt) REVERT: Y 17 LYS cc_start: 0.9309 (mtpp) cc_final: 0.8642 (pttp) REVERT: Y 19 LEU cc_start: 0.8529 (OUTLIER) cc_final: 0.8208 (tt) REVERT: Z 1 MET cc_start: 0.7654 (mtm) cc_final: 0.7254 (mtm) REVERT: Z 6 LYS cc_start: 0.8724 (ptmt) cc_final: 0.8098 (pptt) REVERT: 0 17 LYS cc_start: 0.8850 (mttt) cc_final: 0.7912 (tmtt) REVERT: 1 12 LYS cc_start: 0.9259 (tttm) cc_final: 0.8885 (tptp) REVERT: 2 6 LYS cc_start: 0.9021 (ttmm) cc_final: 0.7984 (tmtt) REVERT: 2 9 LYS cc_start: 0.9023 (tptp) cc_final: 0.8817 (tptp) REVERT: 2 13 ASP cc_start: 0.8601 (m-30) cc_final: 0.8164 (m-30) REVERT: 2 17 LYS cc_start: 0.9211 (mtpp) cc_final: 0.8705 (pttt) REVERT: 3 6 LYS cc_start: 0.8905 (ptmt) cc_final: 0.8623 (ptmm) REVERT: 5 1 MET cc_start: 0.6547 (ptt) cc_final: 0.4280 (mmt) REVERT: 6 1 MET cc_start: 0.7642 (pmm) cc_final: 0.7148 (pmm) REVERT: 6 6 LYS cc_start: 0.8896 (ttmm) cc_final: 0.8168 (tmtt) REVERT: 6 9 LYS cc_start: 0.9303 (tptm) cc_final: 0.8970 (tptt) REVERT: 6 17 LYS cc_start: 0.9292 (mtpp) cc_final: 0.8901 (pttt) REVERT: 6 19 LEU cc_start: 0.8184 (OUTLIER) cc_final: 0.7940 (tt) REVERT: 7 1 MET cc_start: 0.7063 (mtm) cc_final: 0.6733 (mtm) REVERT: 7 6 LYS cc_start: 0.8971 (ptmt) cc_final: 0.8566 (pttp) REVERT: 8 15 LEU cc_start: 0.9262 (mp) cc_final: 0.9049 (mp) REVERT: 8 17 LYS cc_start: 0.9030 (mttt) cc_final: 0.8238 (tmtt) REVERT: a 6 LYS cc_start: 0.8951 (ttmm) cc_final: 0.8086 (tmtt) REVERT: a 9 LYS cc_start: 0.9270 (tptm) cc_final: 0.8738 (tptp) REVERT: a 13 ASP cc_start: 0.8695 (m-30) cc_final: 0.8142 (m-30) REVERT: a 17 LYS cc_start: 0.9207 (mtpp) cc_final: 0.8708 (pptt) REVERT: b 6 LYS cc_start: 0.8639 (ptmt) cc_final: 0.8204 (ptmm) REVERT: b 12 LYS cc_start: 0.9372 (tmmt) cc_final: 0.9143 (tmmt) REVERT: c 17 LYS cc_start: 0.9142 (mttt) cc_final: 0.8071 (tmtt) REVERT: d 1 MET cc_start: 0.7723 (ptp) cc_final: 0.5594 (mmt) REVERT: d 12 LYS cc_start: 0.9297 (tmmt) cc_final: 0.8827 (tppt) REVERT: e 6 LYS cc_start: 0.8898 (ttmm) cc_final: 0.8049 (tmtt) REVERT: e 9 LYS cc_start: 0.9192 (tptm) cc_final: 0.8934 (tptt) REVERT: e 17 LYS cc_start: 0.9319 (mtpp) cc_final: 0.8816 (pttt) REVERT: f 6 LYS cc_start: 0.8759 (ptmt) cc_final: 0.8372 (pttp) REVERT: h 1 MET cc_start: 0.6524 (ptt) cc_final: 0.5114 (mmt) REVERT: h 12 LYS cc_start: 0.9254 (ttpt) cc_final: 0.8711 (tppt) REVERT: i 6 LYS cc_start: 0.8946 (ttmm) cc_final: 0.8187 (tmtt) REVERT: i 9 LYS cc_start: 0.9190 (tptm) cc_final: 0.8731 (tptt) REVERT: i 13 ASP cc_start: 0.8877 (m-30) cc_final: 0.8239 (m-30) REVERT: i 17 LYS cc_start: 0.9343 (mtpp) cc_final: 0.8680 (pttt) REVERT: j 6 LYS cc_start: 0.8957 (ptmt) cc_final: 0.8390 (pptt) REVERT: j 12 LYS cc_start: 0.9279 (tmmt) cc_final: 0.8985 (tmmt) REVERT: j 17 LYS cc_start: 0.8944 (ttmm) cc_final: 0.7934 (tmtt) REVERT: k 2 GLU cc_start: 0.7465 (OUTLIER) cc_final: 0.6324 (tm-30) REVERT: k 17 LYS cc_start: 0.8975 (mttt) cc_final: 0.8217 (tmtt) REVERT: l 12 LYS cc_start: 0.9256 (ttpt) cc_final: 0.8794 (tppt) REVERT: l 19 LEU cc_start: 0.9111 (mt) cc_final: 0.8836 (mt) REVERT: m 6 LYS cc_start: 0.8964 (ttmm) cc_final: 0.8067 (tmtt) REVERT: m 9 LYS cc_start: 0.9330 (tptt) cc_final: 0.8982 (tptt) REVERT: m 17 LYS cc_start: 0.9231 (mtpp) cc_final: 0.8769 (pttt) REVERT: n 1 MET cc_start: 0.7373 (mtm) cc_final: 0.7165 (mtp) REVERT: n 6 LYS cc_start: 0.8847 (ptmt) cc_final: 0.8242 (tmtt) REVERT: n 17 LYS cc_start: 0.8963 (ttmm) cc_final: 0.7747 (tmtt) REVERT: p 1 MET cc_start: 0.7859 (ptm) cc_final: 0.7485 (ptm) REVERT: q 9 LYS cc_start: 0.9090 (tptt) cc_final: 0.8720 (tptp) REVERT: q 13 ASP cc_start: 0.8761 (m-30) cc_final: 0.7803 (m-30) REVERT: r 6 LYS cc_start: 0.9209 (ptpt) cc_final: 0.9001 (ptpp) REVERT: r 12 LYS cc_start: 0.9404 (tmmt) cc_final: 0.9065 (tmmt) REVERT: t 1 MET cc_start: 0.7242 (ptt) cc_final: 0.6883 (ptm) REVERT: t 2 GLU cc_start: 0.8323 (pm20) cc_final: 0.8059 (pm20) REVERT: u 2 GLU cc_start: 0.9009 (tp30) cc_final: 0.8496 (tp30) REVERT: u 6 LYS cc_start: 0.9359 (mmtt) cc_final: 0.8971 (mmtp) REVERT: u 9 LYS cc_start: 0.9240 (tptm) cc_final: 0.8884 (tptm) REVERT: v 1 MET cc_start: 0.7227 (mtm) cc_final: 0.6948 (mtm) REVERT: v 6 LYS cc_start: 0.9287 (ptmt) cc_final: 0.8941 (ptpp) REVERT: v 13 ASP cc_start: 0.8771 (t0) cc_final: 0.8473 (t70) REVERT: v 21 ASN cc_start: 0.7555 (p0) cc_final: 0.7249 (p0) REVERT: y 2 GLU cc_start: 0.8889 (tp30) cc_final: 0.8532 (tp30) REVERT: y 9 LYS cc_start: 0.9163 (tptm) cc_final: 0.8762 (tptm) REVERT: y 13 ASP cc_start: 0.8693 (m-30) cc_final: 0.8136 (m-30) REVERT: z 15 LEU cc_start: 0.8914 (OUTLIER) cc_final: 0.8675 (tt) REVERT: AC 9 LYS cc_start: 0.9224 (tptm) cc_final: 0.8616 (tptp) REVERT: AC 13 ASP cc_start: 0.8822 (OUTLIER) cc_final: 0.8148 (m-30) REVERT: AD 21 ASN cc_start: 0.7391 (p0) cc_final: 0.7145 (p0) REVERT: AF 9 LYS cc_start: 0.8997 (ttmm) cc_final: 0.8789 (tppt) REVERT: AG 1 MET cc_start: 0.7308 (pmm) cc_final: 0.6980 (pmm) REVERT: AH 6 LYS cc_start: 0.9349 (ptmt) cc_final: 0.8959 (ptmt) REVERT: AI 1 MET cc_start: 0.7496 (tmm) cc_final: 0.7044 (tmm) REVERT: AJ 2 GLU cc_start: 0.8455 (pm20) cc_final: 0.8206 (pm20) REVERT: AJ 13 ASP cc_start: 0.8913 (t0) cc_final: 0.8353 (t0) REVERT: AK 1 MET cc_start: 0.7553 (pmm) cc_final: 0.6156 (pmm) REVERT: AK 2 GLU cc_start: 0.8963 (tp30) cc_final: 0.8560 (tp30) REVERT: AK 6 LYS cc_start: 0.9338 (mmtt) cc_final: 0.9075 (mmtt) REVERT: AK 9 LYS cc_start: 0.9258 (tptm) cc_final: 0.8593 (tptm) REVERT: AK 13 ASP cc_start: 0.8667 (m-30) cc_final: 0.7979 (m-30) REVERT: AN 1 MET cc_start: 0.7859 (ptm) cc_final: 0.7547 (ptm) REVERT: AO 1 MET cc_start: 0.7453 (pmm) cc_final: 0.7151 (pmm) REVERT: AO 9 LYS cc_start: 0.9400 (tppt) cc_final: 0.9065 (tppt) REVERT: AO 13 ASP cc_start: 0.8988 (m-30) cc_final: 0.8559 (m-30) REVERT: AO 17 LYS cc_start: 0.9075 (mtpt) cc_final: 0.8631 (mtpt) REVERT: AO 19 LEU cc_start: 0.8224 (OUTLIER) cc_final: 0.7947 (tt) REVERT: AP 6 LYS cc_start: 0.9290 (ptpt) cc_final: 0.9019 (ptpp) REVERT: AQ 1 MET cc_start: 0.7948 (OUTLIER) cc_final: 0.5633 (mpp) REVERT: AS 2 GLU cc_start: 0.9094 (tp30) cc_final: 0.8642 (tp30) REVERT: AS 6 LYS cc_start: 0.9226 (mmmt) cc_final: 0.8911 (mmmt) REVERT: AS 9 LYS cc_start: 0.9145 (tptt) cc_final: 0.8715 (tptm) REVERT: AS 13 ASP cc_start: 0.8611 (m-30) cc_final: 0.7958 (m-30) REVERT: AT 6 LYS cc_start: 0.9274 (ptmt) cc_final: 0.9004 (ptpp) REVERT: AW 2 GLU cc_start: 0.8811 (tp30) cc_final: 0.8192 (tp30) REVERT: AW 6 LYS cc_start: 0.9328 (mttm) cc_final: 0.8929 (mttm) REVERT: AW 9 LYS cc_start: 0.9230 (tptm) cc_final: 0.8422 (tptt) REVERT: AW 13 ASP cc_start: 0.8705 (m-30) cc_final: 0.7768 (m-30) REVERT: AX 6 LYS cc_start: 0.9284 (ptmt) cc_final: 0.9023 (ptpp) REVERT: AX 21 ASN cc_start: 0.7228 (OUTLIER) cc_final: 0.6800 (p0) REVERT: AY 1 MET cc_start: 0.6695 (tmm) cc_final: 0.5209 (mpp) REVERT: A0 9 LYS cc_start: 0.9181 (tptt) cc_final: 0.8569 (tptm) REVERT: A0 13 ASP cc_start: 0.8628 (m-30) cc_final: 0.7642 (m-30) REVERT: A0 15 LEU cc_start: 0.8320 (OUTLIER) cc_final: 0.8006 (tp) REVERT: A0 19 LEU cc_start: 0.8114 (OUTLIER) cc_final: 0.7855 (tt) REVERT: A1 21 ASN cc_start: 0.7652 (p0) cc_final: 0.7356 (p0) REVERT: A3 2 GLU cc_start: 0.8492 (pm20) cc_final: 0.8226 (pm20) REVERT: A4 9 LYS cc_start: 0.9121 (tptt) cc_final: 0.8524 (tptp) REVERT: A4 13 ASP cc_start: 0.8657 (m-30) cc_final: 0.7743 (m-30) REVERT: A5 6 LYS cc_start: 0.9000 (ptpt) cc_final: 0.8756 (ptpp) REVERT: A5 13 ASP cc_start: 0.8753 (t0) cc_final: 0.8548 (t0) REVERT: A6 1 MET cc_start: 0.7867 (tmm) cc_final: 0.5482 (mpp) REVERT: A8 6 LYS cc_start: 0.9160 (mmtm) cc_final: 0.8709 (mmtm) REVERT: A8 9 LYS cc_start: 0.9145 (tptt) cc_final: 0.8555 (tptm) REVERT: A8 13 ASP cc_start: 0.8876 (m-30) cc_final: 0.7768 (m-30) REVERT: A9 6 LYS cc_start: 0.9392 (ptmt) cc_final: 0.8972 (ptpp) REVERT: BB 6 LYS cc_start: 0.9167 (ttmm) cc_final: 0.8830 (mtmm) REVERT: BD 11 PHE cc_start: 0.8973 (OUTLIER) cc_final: 0.8738 (m-10) REVERT: BD 12 LYS cc_start: 0.9248 (ttpt) cc_final: 0.8968 (tmmt) REVERT: BE 1 MET cc_start: 0.7469 (tmm) cc_final: 0.6286 (mpp) REVERT: BF 12 LYS cc_start: 0.9203 (ttpt) cc_final: 0.8620 (tppt) REVERT: BG 13 ASP cc_start: 0.8603 (m-30) cc_final: 0.8230 (m-30) REVERT: BH 13 ASP cc_start: 0.8711 (t70) cc_final: 0.8413 (t0) REVERT: BJ 2 GLU cc_start: 0.8570 (pm20) cc_final: 0.8367 (pm20) REVERT: BJ 12 LYS cc_start: 0.9285 (ttpt) cc_final: 0.8607 (tptp) REVERT: BK 2 GLU cc_start: 0.8653 (tp30) cc_final: 0.8434 (tp30) REVERT: BK 9 LYS cc_start: 0.9202 (tptm) cc_final: 0.8925 (tptt) REVERT: BL 21 ASN cc_start: 0.7592 (p0) cc_final: 0.7326 (p0) REVERT: BO 9 LYS cc_start: 0.9324 (tptm) cc_final: 0.8986 (tptt) REVERT: BP 6 LYS cc_start: 0.9154 (ptpp) cc_final: 0.8896 (ptmm) REVERT: BP 13 ASP cc_start: 0.8587 (t70) cc_final: 0.8363 (t0) REVERT: BS 9 LYS cc_start: 0.9185 (tppp) cc_final: 0.8733 (tptm) REVERT: BS 13 ASP cc_start: 0.8636 (m-30) cc_final: 0.8132 (m-30) REVERT: BT 6 LYS cc_start: 0.9335 (ptmt) cc_final: 0.9032 (ptpp) REVERT: BW 9 LYS cc_start: 0.9155 (tptt) cc_final: 0.8736 (tptt) REVERT: BX 6 LYS cc_start: 0.9301 (ptpt) cc_final: 0.9073 (ptpp) REVERT: BX 9 LYS cc_start: 0.9339 (OUTLIER) cc_final: 0.9078 (mtpp) REVERT: BX 12 LYS cc_start: 0.9350 (tmmt) cc_final: 0.9045 (tmmt) REVERT: BY 1 MET cc_start: 0.6927 (tmm) cc_final: 0.6148 (tmm) REVERT: BZ 12 LYS cc_start: 0.9085 (tptm) cc_final: 0.8616 (tppt) REVERT: B0 2 GLU cc_start: 0.8904 (tp30) cc_final: 0.8520 (tp30) REVERT: B0 6 LYS cc_start: 0.9195 (mttm) cc_final: 0.8955 (mtpp) REVERT: B0 9 LYS cc_start: 0.9256 (tptt) cc_final: 0.8662 (tptp) REVERT: B0 13 ASP cc_start: 0.8723 (m-30) cc_final: 0.7953 (m-30) REVERT: B0 17 LYS cc_start: 0.8997 (mtpp) cc_final: 0.8534 (mtpt) REVERT: B1 21 ASN cc_start: 0.7450 (p0) cc_final: 0.7116 (p0) REVERT: B2 1 MET cc_start: 0.7420 (tmm) cc_final: 0.6956 (tmm) REVERT: B3 11 PHE cc_start: 0.9123 (m-10) cc_final: 0.8780 (m-80) REVERT: B4 13 ASP cc_start: 0.8715 (m-30) cc_final: 0.8404 (m-30) REVERT: B9 17 LYS cc_start: 0.8989 (ttmm) cc_final: 0.8725 (mmmm) REVERT: B9 18 PHE cc_start: 0.8500 (t80) cc_final: 0.8134 (t80) REVERT: CB 6 LYS cc_start: 0.9141 (ttmm) cc_final: 0.8853 (mtmm) REVERT: CC 2 GLU cc_start: 0.8895 (tp30) cc_final: 0.8505 (tp30) REVERT: CC 9 LYS cc_start: 0.9234 (tptm) cc_final: 0.8936 (tptm) REVERT: CC 13 ASP cc_start: 0.8603 (m-30) cc_final: 0.8193 (m-30) REVERT: CC 19 LEU cc_start: 0.8148 (OUTLIER) cc_final: 0.7921 (tt) REVERT: CD 6 LYS cc_start: 0.9230 (ptmt) cc_final: 0.8951 (ptpp) REVERT: CD 13 ASP cc_start: 0.8806 (t0) cc_final: 0.8605 (t70) REVERT: CG 2 GLU cc_start: 0.8776 (tp30) cc_final: 0.8090 (tp30) REVERT: CG 6 LYS cc_start: 0.9354 (mmtt) cc_final: 0.9005 (mmtt) REVERT: CG 9 LYS cc_start: 0.9113 (tptt) cc_final: 0.8691 (tptm) REVERT: CG 13 ASP cc_start: 0.8784 (m-30) cc_final: 0.8111 (m-30) REVERT: CH 1 MET cc_start: 0.6918 (mtm) cc_final: 0.6586 (mtm) REVERT: CH 12 LYS cc_start: 0.9336 (tmmt) cc_final: 0.9034 (tmmt) REVERT: CK 9 LYS cc_start: 0.9249 (tptm) cc_final: 0.8569 (tptm) REVERT: CK 13 ASP cc_start: 0.8700 (m-30) cc_final: 0.8031 (m-30) REVERT: CL 1 MET cc_start: 0.6799 (mtm) cc_final: 0.6414 (mtm) REVERT: CL 12 LYS cc_start: 0.9342 (tmmt) cc_final: 0.9033 (tmmt) REVERT: CO 9 LYS cc_start: 0.9200 (tptt) cc_final: 0.8836 (tptp) REVERT: CO 13 ASP cc_start: 0.8748 (m-30) cc_final: 0.7970 (m-30) REVERT: CP 6 LYS cc_start: 0.9210 (ptpt) cc_final: 0.8884 (ptpp) REVERT: CP 13 ASP cc_start: 0.8846 (t0) cc_final: 0.8526 (t0) REVERT: CR 12 LYS cc_start: 0.9274 (tttt) cc_final: 0.8871 (tppt) REVERT: CS 2 GLU cc_start: 0.8803 (tp30) cc_final: 0.7954 (tp30) REVERT: CS 6 LYS cc_start: 0.9364 (mmtm) cc_final: 0.8792 (mmtt) REVERT: CS 9 LYS cc_start: 0.9301 (tptt) cc_final: 0.9079 (tptm) REVERT: CT 21 ASN cc_start: 0.7651 (p0) cc_final: 0.7394 (p0) REVERT: CW 1 MET cc_start: 0.8211 (pmm) cc_final: 0.7688 (pmm) REVERT: CW 9 LYS cc_start: 0.9225 (tptm) cc_final: 0.8882 (tptt) REVERT: CX 6 LYS cc_start: 0.9279 (ptmt) cc_final: 0.8942 (ptpp) REVERT: CX 12 LYS cc_start: 0.9193 (tmmt) cc_final: 0.8981 (tmmt) REVERT: CX 21 ASN cc_start: 0.6725 (p0) cc_final: 0.6492 (p0) REVERT: C0 1 MET cc_start: 0.7965 (pmm) cc_final: 0.7407 (pmm) REVERT: C0 2 GLU cc_start: 0.8882 (tp30) cc_final: 0.8276 (tp30) REVERT: C0 6 LYS cc_start: 0.9312 (mttm) cc_final: 0.8993 (mttm) REVERT: C1 12 LYS cc_start: 0.9286 (tmmt) cc_final: 0.8965 (tmmt) REVERT: C2 1 MET cc_start: 0.8218 (tmm) cc_final: 0.6235 (mpp) REVERT: C4 9 LYS cc_start: 0.9287 (tptm) cc_final: 0.8833 (tptt) REVERT: C5 6 LYS cc_start: 0.9261 (ptpt) cc_final: 0.8774 (ptpp) REVERT: C7 11 PHE cc_start: 0.9193 (m-10) cc_final: 0.8943 (m-80) REVERT: C8 9 LYS cc_start: 0.9135 (tptm) cc_final: 0.8759 (tptt) REVERT: C8 13 ASP cc_start: 0.8728 (m-30) cc_final: 0.8061 (m-30) REVERT: C8 17 LYS cc_start: 0.9156 (mtpt) cc_final: 0.8821 (mtpp) REVERT: C9 12 LYS cc_start: 0.9213 (tmmt) cc_final: 0.8947 (tmmt) REVERT: C9 21 ASN cc_start: 0.7549 (p0) cc_final: 0.7178 (p0) REVERT: DC 9 LYS cc_start: 0.9197 (tptt) cc_final: 0.8795 (tptp) REVERT: DC 13 ASP cc_start: 0.8808 (m-30) cc_final: 0.8189 (m-30) REVERT: DD 6 LYS cc_start: 0.9309 (ptmt) cc_final: 0.9048 (ptpp) REVERT: DE 1 MET cc_start: 0.7274 (tmm) cc_final: 0.7003 (tmm) REVERT: DE 2 GLU cc_start: 0.7518 (tm-30) cc_final: 0.6692 (tm-30) REVERT: DF 15 LEU cc_start: 0.9643 (tp) cc_final: 0.9254 (tp) REVERT: DG 9 LYS cc_start: 0.9171 (tptt) cc_final: 0.8832 (tptt) REVERT: DH 1 MET cc_start: 0.7198 (mtm) cc_final: 0.6945 (mtm) REVERT: DK 1 MET cc_start: 0.7917 (pmm) cc_final: 0.6690 (pmm) REVERT: DK 2 GLU cc_start: 0.8993 (tp30) cc_final: 0.8568 (tp30) REVERT: DK 9 LYS cc_start: 0.9399 (tptm) cc_final: 0.9008 (tppt) REVERT: DK 13 ASP cc_start: 0.8801 (m-30) cc_final: 0.8519 (m-30) REVERT: DL 1 MET cc_start: 0.7152 (mtm) cc_final: 0.6562 (mtm) REVERT: DN 1 MET cc_start: 0.7255 (ptt) cc_final: 0.6802 (ptm) REVERT: DO 9 LYS cc_start: 0.9192 (tptm) cc_final: 0.8595 (tptm) REVERT: DO 13 ASP cc_start: 0.8537 (m-30) cc_final: 0.7370 (m-30) REVERT: DP 6 LYS cc_start: 0.9391 (ptmt) cc_final: 0.9099 (ptpp) REVERT: DP 13 ASP cc_start: 0.8668 (t0) cc_final: 0.8325 (t0) REVERT: DQ 1 MET cc_start: 0.7239 (ttp) cc_final: 0.6670 (tmm) REVERT: DR 12 LYS cc_start: 0.9295 (ttpt) cc_final: 0.8806 (tptp) REVERT: DS 2 GLU cc_start: 0.8772 (tp30) cc_final: 0.8411 (tp30) REVERT: DS 9 LYS cc_start: 0.9073 (tptt) cc_final: 0.8408 (tptp) REVERT: DS 13 ASP cc_start: 0.8629 (m-30) cc_final: 0.7419 (m-30) REVERT: DT 6 LYS cc_start: 0.9185 (ptmt) cc_final: 0.8870 (pttt) REVERT: DU 1 MET cc_start: 0.7374 (tpt) cc_final: 0.6896 (tpt) REVERT: DV 2 GLU cc_start: 0.8238 (pm20) cc_final: 0.7929 (pm20) REVERT: DW 9 LYS cc_start: 0.9094 (tptm) cc_final: 0.8580 (tptp) REVERT: DW 13 ASP cc_start: 0.8664 (m-30) cc_final: 0.7803 (m-30) REVERT: DX 6 LYS cc_start: 0.9226 (ptpt) cc_final: 0.8873 (ptpp) REVERT: DX 13 ASP cc_start: 0.8775 (t0) cc_final: 0.8393 (t0) REVERT: DX 21 ASN cc_start: 0.7918 (p0) cc_final: 0.7572 (p0) REVERT: DZ 2 GLU cc_start: 0.8397 (pm20) cc_final: 0.8000 (pm20) REVERT: D0 2 GLU cc_start: 0.8739 (tp30) cc_final: 0.8334 (tp30) REVERT: D0 6 LYS cc_start: 0.9175 (mttm) cc_final: 0.8747 (mmtp) REVERT: D0 9 LYS cc_start: 0.9257 (tptm) cc_final: 0.8866 (tptt) REVERT: D0 18 PHE cc_start: 0.8757 (OUTLIER) cc_final: 0.8309 (t80) REVERT: D1 6 LYS cc_start: 0.9059 (ptpp) cc_final: 0.8797 (ptmm) REVERT: D2 9 LYS cc_start: 0.9303 (tppt) cc_final: 0.8921 (tppt) REVERT: D2 13 ASP cc_start: 0.8362 (OUTLIER) cc_final: 0.8139 (p0) REVERT: D4 9 LYS cc_start: 0.9272 (tptt) cc_final: 0.9002 (tptm) REVERT: D4 13 ASP cc_start: 0.8713 (m-30) cc_final: 0.8201 (m-30) REVERT: D5 1 MET cc_start: 0.7409 (mtm) cc_final: 0.7173 (mtm) REVERT: D5 21 ASN cc_start: 0.7477 (OUTLIER) cc_final: 0.7045 (p0) REVERT: D6 1 MET cc_start: 0.7199 (tmm) cc_final: 0.6319 (mtt) REVERT: D7 12 LYS cc_start: 0.9240 (ttpt) cc_final: 0.8647 (tppt) REVERT: D7 13 ASP cc_start: 0.8965 (t0) cc_final: 0.8582 (t0) REVERT: D8 9 LYS cc_start: 0.9212 (tptm) cc_final: 0.8968 (tptm) REVERT: D9 6 LYS cc_start: 0.9145 (ptpt) cc_final: 0.8882 (ptmm) REVERT: EB 19 LEU cc_start: 0.9040 (mt) cc_final: 0.8698 (mt) REVERT: EC 2 GLU cc_start: 0.8840 (tp30) cc_final: 0.8497 (tp30) REVERT: EC 6 LYS cc_start: 0.9223 (mttm) cc_final: 0.8877 (mmtm) REVERT: EG 9 LYS cc_start: 0.9286 (tptt) cc_final: 0.8782 (tptm) REVERT: EG 13 ASP cc_start: 0.8789 (m-30) cc_final: 0.8006 (m-30) REVERT: EG 17 LYS cc_start: 0.8943 (mtpt) cc_final: 0.8425 (mtpp) REVERT: EH 6 LYS cc_start: 0.9242 (ptmt) cc_final: 0.8955 (ptpp) REVERT: EH 13 ASP cc_start: 0.8793 (t0) cc_final: 0.8578 (t0) REVERT: EI 1 MET cc_start: 0.6761 (ttp) cc_final: 0.5920 (mpp) REVERT: EK 6 LYS cc_start: 0.9348 (mmtt) cc_final: 0.9131 (mmtm) REVERT: EK 9 LYS cc_start: 0.9096 (tptm) cc_final: 0.8774 (tptt) REVERT: EL 12 LYS cc_start: 0.9315 (ttpt) cc_final: 0.9071 (tmmt) REVERT: EM 1 MET cc_start: 0.7403 (tmm) cc_final: 0.6410 (mpp) REVERT: EN 2 GLU cc_start: 0.8545 (pm20) cc_final: 0.8228 (pm20) REVERT: EN 12 LYS cc_start: 0.9225 (ttpt) cc_final: 0.8737 (tptp) REVERT: EO 1 MET cc_start: 0.7186 (pmm) cc_final: 0.6937 (ptp) REVERT: EO 9 LYS cc_start: 0.9257 (tptm) cc_final: 0.8881 (tptt) REVERT: EP 1 MET cc_start: 0.7123 (mtm) cc_final: 0.6922 (mtm) REVERT: EP 6 LYS cc_start: 0.9218 (ptmt) cc_final: 0.8912 (ptpp) REVERT: EQ 2 GLU cc_start: 0.7281 (tm-30) cc_final: 0.7062 (tm-30) REVERT: EQ 13 ASP cc_start: 0.8970 (t70) cc_final: 0.8742 (t0) REVERT: ER 1 MET cc_start: 0.6959 (ptt) cc_final: 0.6683 (ptt) REVERT: ER 11 PHE cc_start: 0.9169 (m-10) cc_final: 0.8937 (m-80) REVERT: ES 9 LYS cc_start: 0.9127 (tptm) cc_final: 0.8611 (tptm) REVERT: ES 13 ASP cc_start: 0.8661 (m-30) cc_final: 0.8126 (m-30) REVERT: ET 12 LYS cc_start: 0.9348 (tmmt) cc_final: 0.9118 (tmmt) REVERT: EU 1 MET cc_start: 0.7342 (tpp) cc_final: 0.6956 (tpp) REVERT: EV 12 LYS cc_start: 0.9300 (tttm) cc_final: 0.8747 (tptp) REVERT: EW 9 LYS cc_start: 0.9233 (tptm) cc_final: 0.8822 (tppt) REVERT: EW 13 ASP cc_start: 0.8883 (m-30) cc_final: 0.8602 (m-30) REVERT: EX 13 ASP cc_start: 0.8777 (t0) cc_final: 0.8414 (t0) REVERT: EY 9 LYS cc_start: 0.9241 (tppt) cc_final: 0.9023 (tppt) REVERT: EY 13 ASP cc_start: 0.8573 (OUTLIER) cc_final: 0.8260 (p0) REVERT: EZ 12 LYS cc_start: 0.9280 (tttt) cc_final: 0.8825 (tptp) REVERT: E1 6 LYS cc_start: 0.9333 (ptmt) cc_final: 0.8894 (ptmt) REVERT: E4 2 GLU cc_start: 0.8831 (tp30) cc_final: 0.8187 (tp30) REVERT: E4 9 LYS cc_start: 0.9190 (tptm) cc_final: 0.8681 (tptt) REVERT: E4 13 ASP cc_start: 0.8650 (m-30) cc_final: 0.7992 (m-30) REVERT: E5 1 MET cc_start: 0.7022 (mtm) cc_final: 0.6770 (mtm) REVERT: E5 6 LYS cc_start: 0.9335 (ptmt) cc_final: 0.8995 (ptpp) REVERT: E7 13 ASP cc_start: 0.8949 (t0) cc_final: 0.8662 (t0) REVERT: E8 9 LYS cc_start: 0.9203 (tptt) cc_final: 0.8867 (tptm) REVERT: E8 13 ASP cc_start: 0.8515 (m-30) cc_final: 0.7870 (m-30) REVERT: E9 6 LYS cc_start: 0.9234 (ptpt) cc_final: 0.8869 (ptmm) REVERT: E9 18 PHE cc_start: 0.8964 (t80) cc_final: 0.8735 (t80) REVERT: FC 2 GLU cc_start: 0.8789 (tp30) cc_final: 0.8461 (tp30) REVERT: FC 6 LYS cc_start: 0.9268 (mmtm) cc_final: 0.8873 (mttm) REVERT: FC 9 LYS cc_start: 0.9097 (tptt) cc_final: 0.8345 (tptp) REVERT: FC 13 ASP cc_start: 0.8468 (m-30) cc_final: 0.6864 (m-30) REVERT: FC 19 LEU cc_start: 0.7996 (OUTLIER) cc_final: 0.7721 (tt) REVERT: FD 6 LYS cc_start: 0.9255 (ptmt) cc_final: 0.8936 (ptpp) REVERT: FF 1 MET cc_start: 0.6900 (ptt) cc_final: 0.6452 (ptm) REVERT: FF 12 LYS cc_start: 0.9188 (tttt) cc_final: 0.8743 (tptp) REVERT: FG 9 LYS cc_start: 0.9222 (tptm) cc_final: 0.9010 (tptm) REVERT: FG 13 ASP cc_start: 0.8782 (m-30) cc_final: 0.8552 (m-30) REVERT: FH 1 MET cc_start: 0.7206 (mtm) cc_final: 0.6670 (mmm) REVERT: FH 6 LYS cc_start: 0.9333 (ptmt) cc_final: 0.8963 (ptpp) REVERT: FH 12 LYS cc_start: 0.9187 (tmmt) cc_final: 0.8953 (tmmt) REVERT: FL 6 LYS cc_start: 0.9342 (ptmt) cc_final: 0.8987 (ptmt) REVERT: FO 2 GLU cc_start: 0.8911 (tp30) cc_final: 0.8457 (tp30) REVERT: FO 6 LYS cc_start: 0.9201 (mttm) cc_final: 0.8823 (mttm) REVERT: FO 9 LYS cc_start: 0.9225 (tptt) cc_final: 0.8740 (tptp) REVERT: FO 13 ASP cc_start: 0.8667 (m-30) cc_final: 0.7791 (m-30) REVERT: FQ 1 MET cc_start: 0.7112 (ttm) cc_final: 0.6768 (ttt) REVERT: FQ 2 GLU cc_start: 0.6678 (pt0) cc_final: 0.6351 (pt0) REVERT: FS 2 GLU cc_start: 0.8734 (tp30) cc_final: 0.8456 (tp30) REVERT: FS 6 LYS cc_start: 0.9095 (mmtp) cc_final: 0.8824 (mmtm) REVERT: FS 9 LYS cc_start: 0.9173 (tptt) cc_final: 0.8560 (tptm) REVERT: FS 13 ASP cc_start: 0.8765 (m-30) cc_final: 0.7587 (m-30) REVERT: FT 6 LYS cc_start: 0.9354 (ptmt) cc_final: 0.9113 (ptpp) REVERT: FT 12 LYS cc_start: 0.9301 (tmmt) cc_final: 0.8936 (tmmt) REVERT: FU 2 GLU cc_start: 0.7200 (tm-30) cc_final: 0.6941 (tm-30) REVERT: FW 1 MET cc_start: 0.7693 (pmm) cc_final: 0.7168 (pmm) REVERT: FW 2 GLU cc_start: 0.8756 (tp30) cc_final: 0.8082 (tp30) REVERT: FW 6 LYS cc_start: 0.9350 (mmtt) cc_final: 0.8913 (mmtt) REVERT: FX 12 LYS cc_start: 0.9270 (tmmt) cc_final: 0.9023 (tmmt) REVERT: FX 21 ASN cc_start: 0.7191 (p0) cc_final: 0.6888 (p0) REVERT: F0 2 GLU cc_start: 0.8926 (tp30) cc_final: 0.8661 (tp30) REVERT: F0 6 LYS cc_start: 0.9420 (mmtt) cc_final: 0.9157 (mmtt) REVERT: F0 9 LYS cc_start: 0.9140 (tptt) cc_final: 0.8682 (tptm) REVERT: F0 13 ASP cc_start: 0.8762 (m-30) cc_final: 0.7817 (m-30) REVERT: F0 18 PHE cc_start: 0.8798 (OUTLIER) cc_final: 0.8513 (t80) REVERT: F1 11 PHE cc_start: 0.8426 (m-80) cc_final: 0.7947 (t80) REVERT: F3 12 LYS cc_start: 0.9243 (tttt) cc_final: 0.8743 (tppt) REVERT: F4 9 LYS cc_start: 0.9121 (tptt) cc_final: 0.8693 (tptm) REVERT: F4 13 ASP cc_start: 0.8614 (m-30) cc_final: 0.7757 (m-30) REVERT: F5 6 LYS cc_start: 0.9274 (ptpt) cc_final: 0.8978 (ptmm) REVERT: F7 12 LYS cc_start: 0.9342 (ttpt) cc_final: 0.8827 (tppt) REVERT: F8 6 LYS cc_start: 0.9257 (mmtp) cc_final: 0.8974 (mttm) REVERT: F9 6 LYS cc_start: 0.9351 (ptmt) cc_final: 0.8854 (ptpp) REVERT: GA 13 ASP cc_start: 0.8456 (OUTLIER) cc_final: 0.8233 (p0) REVERT: GB 12 LYS cc_start: 0.9263 (tttt) cc_final: 0.8831 (tppt) REVERT: GC 9 LYS cc_start: 0.9162 (tptm) cc_final: 0.8879 (tptm) REVERT: GC 13 ASP cc_start: 0.8747 (m-30) cc_final: 0.8328 (m-30) REVERT: GD 6 LYS cc_start: 0.9296 (ptmt) cc_final: 0.8976 (ptpp) REVERT: GG 2 GLU cc_start: 0.8691 (tp30) cc_final: 0.8052 (tp30) REVERT: GG 6 LYS cc_start: 0.9162 (mmtt) cc_final: 0.8833 (mmtt) REVERT: GG 9 LYS cc_start: 0.9141 (tptm) cc_final: 0.8725 (tptt) REVERT: GG 13 ASP cc_start: 0.8837 (m-30) cc_final: 0.8178 (m-30) REVERT: GH 12 LYS cc_start: 0.9282 (tmmt) cc_final: 0.9004 (tmmt) REVERT: GH 21 ASN cc_start: 0.7773 (OUTLIER) cc_final: 0.7545 (p0) REVERT: GI 1 MET cc_start: 0.5750 (ttt) cc_final: 0.5196 (ttt) REVERT: GJ 15 LEU cc_start: 0.9664 (tp) cc_final: 0.9447 (tp) REVERT: GK 2 GLU cc_start: 0.8761 (tp30) cc_final: 0.8487 (tp30) REVERT: GK 6 LYS cc_start: 0.9121 (mmtm) cc_final: 0.8876 (mmtm) REVERT: GK 13 ASP cc_start: 0.8706 (m-30) cc_final: 0.8478 (m-30) REVERT: GL 6 LYS cc_start: 0.9254 (ptmt) cc_final: 0.8810 (ptmt) REVERT: GL 11 PHE cc_start: 0.8291 (m-80) cc_final: 0.7494 (t80) REVERT: GM 1 MET cc_start: 0.6288 (ttt) cc_final: 0.5617 (ttt) REVERT: GO 9 LYS cc_start: 0.9260 (tptt) cc_final: 0.8838 (tptp) REVERT: GO 13 ASP cc_start: 0.8516 (m-30) cc_final: 0.7534 (m-30) REVERT: GP 12 LYS cc_start: 0.9434 (tmmt) cc_final: 0.9129 (tmmt) REVERT: GR 12 LYS cc_start: 0.9259 (tttm) cc_final: 0.8779 (tptp) REVERT: GS 2 GLU cc_start: 0.8867 (tp30) cc_final: 0.8196 (tp30) REVERT: GS 6 LYS cc_start: 0.9192 (mttm) cc_final: 0.8770 (mmtm) REVERT: GS 9 LYS cc_start: 0.9192 (tptm) cc_final: 0.8668 (tptm) REVERT: GS 13 ASP cc_start: 0.8726 (m-30) cc_final: 0.8367 (m-30) REVERT: GS 19 LEU cc_start: 0.8141 (OUTLIER) cc_final: 0.7910 (tt) REVERT: GT 1 MET cc_start: 0.7029 (mtm) cc_final: 0.6748 (mtm) REVERT: GT 12 LYS cc_start: 0.9326 (tmmt) cc_final: 0.8962 (tmmt) REVERT: GU 1 MET cc_start: 0.6969 (tmm) cc_final: 0.6658 (tmm) REVERT: GW 9 LYS cc_start: 0.9149 (tptm) cc_final: 0.8872 (tptm) REVERT: GW 13 ASP cc_start: 0.8574 (m-30) cc_final: 0.8177 (m-30) REVERT: GX 13 ASP cc_start: 0.8869 (t0) cc_final: 0.8567 (t0) REVERT: G0 2 GLU cc_start: 0.8942 (tp30) cc_final: 0.8395 (tp30) REVERT: G0 6 LYS cc_start: 0.9303 (mmtt) cc_final: 0.9091 (mmtt) REVERT: G0 9 LYS cc_start: 0.9269 (tptt) cc_final: 0.9030 (tppt) REVERT: G0 13 ASP cc_start: 0.8825 (OUTLIER) cc_final: 0.8362 (m-30) REVERT: G1 1 MET cc_start: 0.6476 (mtm) cc_final: 0.6242 (mtm) REVERT: G1 6 LYS cc_start: 0.9389 (ptmt) cc_final: 0.9024 (ptpp) REVERT: G1 15 LEU cc_start: 0.8762 (OUTLIER) cc_final: 0.8548 (tp) REVERT: G3 12 LYS cc_start: 0.9348 (ttpt) cc_final: 0.8885 (tppt) REVERT: G4 9 LYS cc_start: 0.9269 (tppp) cc_final: 0.8625 (tppp) REVERT: G4 13 ASP cc_start: 0.8515 (m-30) cc_final: 0.7753 (m-30) REVERT: G5 6 LYS cc_start: 0.9311 (ptmt) cc_final: 0.8941 (ptpp) REVERT: G6 1 MET cc_start: 0.6708 (ttt) cc_final: 0.6382 (ttt) REVERT: G7 19 LEU cc_start: 0.8955 (mt) cc_final: 0.8705 (mt) REVERT: G8 9 LYS cc_start: 0.9192 (tptt) cc_final: 0.8788 (tptp) REVERT: G8 13 ASP cc_start: 0.8736 (m-30) cc_final: 0.7396 (m-30) REVERT: G9 6 LYS cc_start: 0.9239 (ptpt) cc_final: 0.8887 (ptpp) REVERT: G9 12 LYS cc_start: 0.9475 (tmmt) cc_final: 0.9242 (tmmt) REVERT: G9 18 PHE cc_start: 0.8983 (t80) cc_final: 0.8368 (t80) REVERT: G9 21 ASN cc_start: 0.7696 (OUTLIER) cc_final: 0.7383 (p0) REVERT: HC 9 LYS cc_start: 0.9235 (tptt) cc_final: 0.8882 (tptm) REVERT: HD 1 MET cc_start: 0.7392 (mtm) cc_final: 0.7035 (mtm) REVERT: HE 1 MET cc_start: 0.7432 (OUTLIER) cc_final: 0.6788 (ttt) REVERT: HG 9 LYS cc_start: 0.9182 (tptm) cc_final: 0.8958 (tptm) REVERT: HH 11 PHE cc_start: 0.8943 (OUTLIER) cc_final: 0.8698 (m-10) REVERT: HJ 13 ASP cc_start: 0.8856 (t0) cc_final: 0.8131 (t0) REVERT: HK 1 MET cc_start: 0.7627 (pmm) cc_final: 0.7040 (pmm) REVERT: HL 1 MET cc_start: 0.6877 (mtm) cc_final: 0.6403 (mtm) REVERT: HL 13 ASP cc_start: 0.8796 (t0) cc_final: 0.8583 (t0) REVERT: HO 9 LYS cc_start: 0.9270 (tptt) cc_final: 0.8641 (tptm) REVERT: HO 13 ASP cc_start: 0.8658 (m-30) cc_final: 0.7795 (m-30) REVERT: HP 6 LYS cc_start: 0.9196 (ptpt) cc_final: 0.8814 (ptpp) REVERT: HS 2 GLU cc_start: 0.8819 (tp30) cc_final: 0.8432 (tp30) REVERT: HS 6 LYS cc_start: 0.9296 (mmtt) cc_final: 0.9041 (mmtt) REVERT: HS 9 LYS cc_start: 0.9098 (tptm) cc_final: 0.8370 (tptt) REVERT: HS 13 ASP cc_start: 0.8803 (m-30) cc_final: 0.7728 (m-30) REVERT: HT 12 LYS cc_start: 0.9354 (tmmt) cc_final: 0.9061 (tmmt) REVERT: HW 2 GLU cc_start: 0.8652 (tp30) cc_final: 0.8360 (tp30) REVERT: HW 9 LYS cc_start: 0.9224 (tptt) cc_final: 0.8869 (tptt) REVERT: HW 13 ASP cc_start: 0.8748 (m-30) cc_final: 0.8177 (m-30) REVERT: HW 15 LEU cc_start: 0.8357 (OUTLIER) cc_final: 0.8109 (tp) REVERT: HX 6 LYS cc_start: 0.9376 (ptmt) cc_final: 0.9114 (ptpp) REVERT: HX 13 ASP cc_start: 0.8739 (t0) cc_final: 0.8412 (t0) REVERT: HZ 11 PHE cc_start: 0.9121 (m-10) cc_final: 0.8762 (m-80) REVERT: H0 2 GLU cc_start: 0.8864 (tp30) cc_final: 0.8298 (tp30) REVERT: H0 6 LYS cc_start: 0.9364 (mmtt) cc_final: 0.9004 (mmtt) REVERT: H0 9 LYS cc_start: 0.9269 (tptt) cc_final: 0.8909 (tptt) REVERT: H1 12 LYS cc_start: 0.9283 (tmmt) cc_final: 0.8998 (tmmt) REVERT: H1 13 ASP cc_start: 0.8871 (t0) cc_final: 0.8581 (t0) REVERT: H4 2 GLU cc_start: 0.8887 (tp30) cc_final: 0.8547 (tp30) REVERT: H4 6 LYS cc_start: 0.9341 (mmtt) cc_final: 0.9102 (mmtt) REVERT: H4 9 LYS cc_start: 0.9185 (tptt) cc_final: 0.8504 (tptt) REVERT: H4 13 ASP cc_start: 0.8657 (m-30) cc_final: 0.7804 (m-30) REVERT: H5 6 LYS cc_start: 0.9200 (ptpt) cc_final: 0.8951 (ptpp) REVERT: H5 18 PHE cc_start: 0.8806 (t80) cc_final: 0.8605 (t80) REVERT: H5 21 ASN cc_start: 0.7407 (OUTLIER) cc_final: 0.7165 (p0) REVERT: H6 12 LYS cc_start: 0.8974 (tttp) cc_final: 0.8770 (tttm) REVERT: H7 1 MET cc_start: 0.7182 (ptt) cc_final: 0.6959 (ptt) REVERT: H7 12 LYS cc_start: 0.9020 (tptm) cc_final: 0.8735 (tppt) REVERT: H8 9 LYS cc_start: 0.9200 (tptm) cc_final: 0.8811 (tptm) REVERT: H9 6 LYS cc_start: 0.9300 (ptmt) cc_final: 0.8930 (ptmt) REVERT: H9 21 ASN cc_start: 0.7694 (OUTLIER) cc_final: 0.7452 (p0) REVERT: IA 1 MET cc_start: 0.6220 (OUTLIER) cc_final: 0.5707 (ttt) REVERT: IC 2 GLU cc_start: 0.8613 (tp30) cc_final: 0.8268 (tp30) REVERT: IC 9 LYS cc_start: 0.9145 (tptt) cc_final: 0.8678 (tptp) REVERT: IC 13 ASP cc_start: 0.8571 (m-30) cc_final: 0.7798 (m-30) REVERT: ID 1 MET cc_start: 0.6952 (mtm) cc_final: 0.6489 (mtm) REVERT: IF 12 LYS cc_start: 0.9268 (ttpt) cc_final: 0.9033 (tptm) REVERT: IH 6 LYS cc_start: 0.9303 (ptpt) cc_final: 0.8994 (ptpp) REVERT: IJ 12 LYS cc_start: 0.9214 (ttpt) cc_final: 0.8653 (tppt) REVERT: IJ 13 ASP cc_start: 0.9069 (t0) cc_final: 0.8542 (t0) REVERT: IK 9 LYS cc_start: 0.9148 (tptt) cc_final: 0.8617 (tptp) REVERT: IK 13 ASP cc_start: 0.8743 (m-30) cc_final: 0.7496 (m-30) REVERT: IL 6 LYS cc_start: 0.9274 (ptpt) cc_final: 0.8920 (ptpt) REVERT: IL 15 LEU cc_start: 0.8824 (OUTLIER) cc_final: 0.8510 (tp) REVERT: IL 21 ASN cc_start: 0.7613 (p0) cc_final: 0.7366 (p0) REVERT: IN 9 LYS cc_start: 0.9349 (tppt) cc_final: 0.9128 (ttmm) REVERT: IO 2 GLU cc_start: 0.8627 (tp30) cc_final: 0.8273 (tp30) REVERT: IO 6 LYS cc_start: 0.9054 (mtpp) cc_final: 0.8598 (mttm) REVERT: IO 9 LYS cc_start: 0.9230 (tptt) cc_final: 0.8646 (tptm) REVERT: IO 13 ASP cc_start: 0.8801 (m-30) cc_final: 0.7894 (m-30) REVERT: IP 1 MET cc_start: 0.7343 (mtm) cc_final: 0.6976 (mtm) REVERT: IP 6 LYS cc_start: 0.9264 (ptpt) cc_final: 0.8958 (ptpp) REVERT: IP 12 LYS cc_start: 0.9311 (ttpt) cc_final: 0.9028 (tmmt) REVERT: IQ 3 PHE cc_start: 0.8906 (m-80) cc_final: 0.8439 (m-10) REVERT: IR 11 PHE cc_start: 0.8878 (m-10) cc_final: 0.8561 (m-80) REVERT: IR 12 LYS cc_start: 0.9117 (tttt) cc_final: 0.8683 (tppt) REVERT: IS 2 GLU cc_start: 0.8633 (tp30) cc_final: 0.8309 (tp30) REVERT: IS 6 LYS cc_start: 0.9217 (mmtm) cc_final: 0.8872 (mmtm) REVERT: IS 9 LYS cc_start: 0.9186 (tptt) cc_final: 0.8925 (tptm) REVERT: IS 13 ASP cc_start: 0.8728 (m-30) cc_final: 0.8143 (m-30) REVERT: IT 6 LYS cc_start: 0.9296 (ptmt) cc_final: 0.9058 (ptpp) REVERT: IW 6 LYS cc_start: 0.9216 (mmtm) cc_final: 0.8894 (mmtm) REVERT: IW 9 LYS cc_start: 0.9256 (tptm) cc_final: 0.8948 (tptm) REVERT: IX 1 MET cc_start: 0.7111 (mtm) cc_final: 0.6909 (mtp) REVERT: IX 12 LYS cc_start: 0.9262 (tmmt) cc_final: 0.9005 (tmmt) REVERT: IZ 12 LYS cc_start: 0.9177 (tttm) cc_final: 0.8811 (tppt) REVERT: I0 9 LYS cc_start: 0.9279 (tptm) cc_final: 0.9015 (tptm) REVERT: I1 1 MET cc_start: 0.7159 (mtm) cc_final: 0.6891 (mmm) REVERT: I4 9 LYS cc_start: 0.9087 (tptm) cc_final: 0.8770 (tptt) REVERT: I8 2 GLU cc_start: 0.8730 (tp30) cc_final: 0.8330 (tp30) REVERT: I8 9 LYS cc_start: 0.9285 (tppp) cc_final: 0.8863 (tppt) REVERT: I9 6 LYS cc_start: 0.9215 (ptmt) cc_final: 0.8913 (ptpp) REVERT: JD 12 LYS cc_start: 0.9322 (tmmt) cc_final: 0.9051 (tmmt) REVERT: JD 21 ASN cc_start: 0.7293 (p0) cc_final: 0.6939 (p0) REVERT: JE 1 MET cc_start: 0.5966 (ttm) cc_final: 0.5730 (ttt) REVERT: JF 12 LYS cc_start: 0.9183 (tptm) cc_final: 0.8669 (tppt) REVERT: JG 9 LYS cc_start: 0.9311 (tptm) cc_final: 0.8929 (tppt) REVERT: JG 13 ASP cc_start: 0.8844 (OUTLIER) cc_final: 0.8506 (m-30) REVERT: JH 1 MET cc_start: 0.7286 (mtp) cc_final: 0.6678 (mtm) REVERT: JH 12 LYS cc_start: 0.9343 (tmmt) cc_final: 0.9026 (tmmt) REVERT: JH 18 PHE cc_start: 0.8880 (t80) cc_final: 0.8525 (t80) REVERT: JJ 15 LEU cc_start: 0.9548 (tp) cc_final: 0.9291 (tp) REVERT: JK 9 LYS cc_start: 0.9174 (tptt) cc_final: 0.8926 (tptm) REVERT: JK 18 PHE cc_start: 0.8774 (OUTLIER) cc_final: 0.8243 (t80) REVERT: JL 13 ASP cc_start: 0.8858 (t70) cc_final: 0.8449 (t0) REVERT: JN 13 ASP cc_start: 0.9046 (t0) cc_final: 0.8476 (t0) REVERT: JO 2 GLU cc_start: 0.8774 (tp30) cc_final: 0.8385 (tp30) REVERT: JO 6 LYS cc_start: 0.9405 (mmtt) cc_final: 0.9151 (mmtt) REVERT: JO 9 LYS cc_start: 0.9179 (tptm) cc_final: 0.8460 (tptm) REVERT: JO 13 ASP cc_start: 0.8777 (m-30) cc_final: 0.7868 (m-30) REVERT: JP 12 LYS cc_start: 0.9394 (tmmt) cc_final: 0.9138 (tmmt) REVERT: JP 13 ASP cc_start: 0.8814 (t0) cc_final: 0.8544 (t0) REVERT: JP 18 PHE cc_start: 0.9035 (t80) cc_final: 0.8765 (t80) REVERT: JQ 1 MET cc_start: 0.6968 (tmm) cc_final: 0.6277 (tmm) REVERT: JS 9 LYS cc_start: 0.9258 (tptm) cc_final: 0.8776 (tptp) REVERT: JS 13 ASP cc_start: 0.8607 (m-30) cc_final: 0.8078 (m-30) REVERT: JT 6 LYS cc_start: 0.9239 (ptpt) cc_final: 0.8913 (pttt) REVERT: JV 11 PHE cc_start: 0.9090 (m-10) cc_final: 0.8759 (m-10) REVERT: JW 9 LYS cc_start: 0.9003 (tptt) cc_final: 0.8519 (tptm) REVERT: JW 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.7696 (m-30) REVERT: JX 1 MET cc_start: 0.7004 (mtm) cc_final: 0.6728 (mtm) REVERT: JX 13 ASP cc_start: 0.8826 (t0) cc_final: 0.8577 (t70) REVERT: JY 3 PHE cc_start: 0.8601 (m-80) cc_final: 0.8034 (m-10) REVERT: J0 1 MET cc_start: 0.7500 (ptp) cc_final: 0.7216 (ptp) REVERT: J0 17 LYS cc_start: 0.9176 (mtpp) cc_final: 0.8919 (mtpt) REVERT: J4 9 LYS cc_start: 0.9232 (tptm) cc_final: 0.8588 (tptt) REVERT: J4 13 ASP cc_start: 0.8626 (m-30) cc_final: 0.7333 (m-30) REVERT: J5 13 ASP cc_start: 0.8905 (t0) cc_final: 0.8684 (t0) REVERT: J6 1 MET cc_start: 0.5861 (tmm) cc_final: 0.5503 (tmm) REVERT: J8 6 LYS cc_start: 0.9232 (mttm) cc_final: 0.8921 (mttm) REVERT: J8 9 LYS cc_start: 0.9259 (tptm) cc_final: 0.8635 (tptm) REVERT: J8 13 ASP cc_start: 0.8683 (m-30) cc_final: 0.7980 (m-30) REVERT: J8 19 LEU cc_start: 0.8038 (OUTLIER) cc_final: 0.7748 (tt) REVERT: KC 9 LYS cc_start: 0.9210 (tptt) cc_final: 0.8846 (tptt) REVERT: KC 19 LEU cc_start: 0.7957 (OUTLIER) cc_final: 0.7713 (tt) REVERT: KD 6 LYS cc_start: 0.9371 (ptpt) cc_final: 0.9007 (ptpp) REVERT: KD 13 ASP cc_start: 0.8910 (t0) cc_final: 0.8458 (t0) REVERT: KE 1 MET cc_start: 0.6091 (tmm) cc_final: 0.5889 (tmm) REVERT: KF 13 ASP cc_start: 0.8752 (t0) cc_final: 0.8356 (t0) REVERT: KG 2 GLU cc_start: 0.8756 (tp30) cc_final: 0.8334 (tp30) REVERT: KG 6 LYS cc_start: 0.9331 (mmtt) cc_final: 0.9077 (mmtt) REVERT: KH 1 MET cc_start: 0.7033 (mtm) cc_final: 0.6270 (mtm) REVERT: KH 15 LEU cc_start: 0.8846 (OUTLIER) cc_final: 0.8424 (tp) REVERT: KJ 2 GLU cc_start: 0.8446 (pm20) cc_final: 0.8145 (pm20) REVERT: KK 9 LYS cc_start: 0.9159 (tptt) cc_final: 0.8781 (tptm) REVERT: KK 13 ASP cc_start: 0.8722 (m-30) cc_final: 0.7817 (m-30) REVERT: KL 13 ASP cc_start: 0.8771 (t0) cc_final: 0.8516 (t70) REVERT: KO 9 LYS cc_start: 0.9171 (tptt) cc_final: 0.8588 (tptm) REVERT: KO 13 ASP cc_start: 0.8663 (m-30) cc_final: 0.7581 (m-30) REVERT: KO 18 PHE cc_start: 0.8564 (OUTLIER) cc_final: 0.7908 (t80) REVERT: KP 6 LYS cc_start: 0.9275 (ptpt) cc_final: 0.8924 (ptmm) REVERT: KP 12 LYS cc_start: 0.9351 (tmmt) cc_final: 0.8974 (tmmt) REVERT: KR 12 LYS cc_start: 0.9269 (ttpt) cc_final: 0.8887 (tppt) REVERT: KS 2 GLU cc_start: 0.9002 (tp30) cc_final: 0.8711 (tp30) REVERT: KS 9 LYS cc_start: 0.9174 (tptm) cc_final: 0.8839 (tptm) REVERT: KS 13 ASP cc_start: 0.8818 (m-30) cc_final: 0.8425 (m-30) REVERT: KW 9 LYS cc_start: 0.9233 (tptm) cc_final: 0.8844 (tptt) REVERT: KW 13 ASP cc_start: 0.8832 (m-30) cc_final: 0.8305 (m-30) REVERT: KX 6 LYS cc_start: 0.9090 (ptpp) cc_final: 0.8780 (ptmm) REVERT: KZ 12 LYS cc_start: 0.9189 (tttm) cc_final: 0.8643 (tptp) REVERT: K0 2 GLU cc_start: 0.8881 (tp30) cc_final: 0.8504 (tp30) REVERT: K0 6 LYS cc_start: 0.9348 (mmtt) cc_final: 0.8998 (mmtm) REVERT: K0 9 LYS cc_start: 0.9256 (tptm) cc_final: 0.8825 (tptt) REVERT: K1 1 MET cc_start: 0.7168 (mtm) cc_final: 0.6684 (mtm) REVERT: K1 6 LYS cc_start: 0.9346 (ptmt) cc_final: 0.8997 (ptpp) REVERT: K1 12 LYS cc_start: 0.9261 (tmmt) cc_final: 0.9013 (tmmt) REVERT: K2 1 MET cc_start: 0.6259 (tpt) cc_final: 0.6005 (tpt) REVERT: K3 9 LYS cc_start: 0.9291 (tppt) cc_final: 0.9042 (ttmm) REVERT: K3 12 LYS cc_start: 0.9169 (tttm) cc_final: 0.8650 (tptp) REVERT: K4 1 MET cc_start: 0.7405 (pmm) cc_final: 0.6883 (pmm) REVERT: K4 2 GLU cc_start: 0.8554 (tp30) cc_final: 0.8063 (tp30) REVERT: K4 9 LYS cc_start: 0.9288 (tptm) cc_final: 0.8815 (tptp) REVERT: K4 13 ASP cc_start: 0.8683 (m-30) cc_final: 0.8039 (m-30) REVERT: K8 1 MET cc_start: 0.7487 (pmm) cc_final: 0.6468 (pmm) REVERT: LC 2 GLU cc_start: 0.8706 (tp30) cc_final: 0.8268 (tp30) REVERT: LD 18 PHE cc_start: 0.8801 (t80) cc_final: 0.8348 (t80) REVERT: LE 1 MET cc_start: 0.6701 (tmm) cc_final: 0.6272 (tmm) REVERT: LE 3 PHE cc_start: 0.9100 (m-80) cc_final: 0.8811 (m-80) REVERT: LF 11 PHE cc_start: 0.9092 (m-10) cc_final: 0.8782 (m-80) REVERT: LG 1 MET cc_start: 0.7152 (pmm) cc_final: 0.6488 (pmm) REVERT: LG 9 LYS cc_start: 0.9161 (tptt) cc_final: 0.8872 (tptt) REVERT: LH 6 LYS cc_start: 0.9235 (ptpp) cc_final: 0.8967 (ptmm) REVERT: LI 9 LYS cc_start: 0.9172 (tppt) cc_final: 0.8889 (tppt) REVERT: LK 2 GLU cc_start: 0.8865 (tp30) cc_final: 0.8234 (tp30) REVERT: LK 6 LYS cc_start: 0.9398 (mmtt) cc_final: 0.8846 (mmtm) REVERT: LK 9 LYS cc_start: 0.9101 (tptm) cc_final: 0.8869 (tptm) REVERT: LK 13 ASP cc_start: 0.8852 (m-30) cc_final: 0.8527 (m-30) REVERT: LL 12 LYS cc_start: 0.9348 (tmmt) cc_final: 0.9074 (tmmt) REVERT: LN 1 MET cc_start: 0.7715 (ptm) cc_final: 0.7361 (ptm) REVERT: LO 1 MET cc_start: 0.7406 (pmm) cc_final: 0.6925 (pmm) REVERT: LO 2 GLU cc_start: 0.8726 (tp30) cc_final: 0.8494 (tp30) REVERT: LO 9 LYS cc_start: 0.9224 (tptt) cc_final: 0.8990 (tptm) REVERT: LO 17 LYS cc_start: 0.8931 (mtpt) cc_final: 0.8687 (mtpt) REVERT: LP 11 PHE cc_start: 0.8361 (m-80) cc_final: 0.7719 (t80) REVERT: LS 9 LYS cc_start: 0.9182 (tptt) cc_final: 0.8860 (tptm) REVERT: LS 13 ASP cc_start: 0.8670 (m-30) cc_final: 0.8155 (m-30) REVERT: LW 9 LYS cc_start: 0.9220 (tptt) cc_final: 0.8987 (tptm) REVERT: LW 17 LYS cc_start: 0.9074 (mtpt) cc_final: 0.8792 (tttm) REVERT: LX 6 LYS cc_start: 0.9353 (ptmt) cc_final: 0.9066 (ptpp) REVERT: LX 12 LYS cc_start: 0.9394 (tmmt) cc_final: 0.9052 (tmmt) REVERT: LY 1 MET cc_start: 0.6348 (tmm) cc_final: 0.6117 (tmm) REVERT: LZ 12 LYS cc_start: 0.9089 (ttpt) cc_final: 0.8726 (tppt) REVERT: L0 9 LYS cc_start: 0.9114 (tptp) cc_final: 0.8835 (tptt) REVERT: L0 13 ASP cc_start: 0.8769 (m-30) cc_final: 0.8164 (m-30) REVERT: L0 19 LEU cc_start: 0.7768 (OUTLIER) cc_final: 0.7499 (tt) REVERT: L1 6 LYS cc_start: 0.9097 (ptpp) cc_final: 0.8841 (ptmm) REVERT: L4 2 GLU cc_start: 0.8962 (tp30) cc_final: 0.8514 (tp30) REVERT: L4 6 LYS cc_start: 0.9341 (mmtm) cc_final: 0.8929 (mmtp) REVERT: L7 12 LYS cc_start: 0.9266 (ttpt) cc_final: 0.8706 (tppt) REVERT: L7 13 ASP cc_start: 0.9019 (t0) cc_final: 0.8626 (t0) REVERT: L8 9 LYS cc_start: 0.9230 (tptm) cc_final: 0.8443 (tptm) REVERT: L8 13 ASP cc_start: 0.8834 (m-30) cc_final: 0.7993 (m-30) REVERT: L8 17 LYS cc_start: 0.8958 (mtpt) cc_final: 0.8601 (mtpp) REVERT: L9 6 LYS cc_start: 0.9312 (ptpt) cc_final: 0.8936 (ptpp) REVERT: L9 12 LYS cc_start: 0.9370 (tmmt) cc_final: 0.9072 (tmmt) REVERT: L9 13 ASP cc_start: 0.8919 (t0) cc_final: 0.8498 (t0) REVERT: MB 6 LYS cc_start: 0.9164 (ttmm) cc_final: 0.8902 (mtmm) REVERT: MB 9 LYS cc_start: 0.9243 (tppt) cc_final: 0.9006 (ttmm) REVERT: MC 2 GLU cc_start: 0.8819 (tp30) cc_final: 0.8552 (tp30) REVERT: MC 9 LYS cc_start: 0.9224 (tptm) cc_final: 0.8355 (tptm) REVERT: MC 13 ASP cc_start: 0.8784 (m-30) cc_final: 0.7891 (m-30) REVERT: MD 6 LYS cc_start: 0.9283 (ptmt) cc_final: 0.8980 (ptpp) REVERT: MD 12 LYS cc_start: 0.9396 (tmmt) cc_final: 0.9027 (tmmt) REVERT: MD 13 ASP cc_start: 0.8710 (t0) cc_final: 0.8462 (t0) REVERT: MG 2 GLU cc_start: 0.8622 (tp30) cc_final: 0.8091 (tp30) REVERT: MG 6 LYS cc_start: 0.9340 (mmtp) cc_final: 0.8983 (mmtm) REVERT: MG 13 ASP cc_start: 0.8724 (m-30) cc_final: 0.8170 (m-30) REVERT: MH 6 LYS cc_start: 0.9293 (ptmt) cc_final: 0.9032 (ptpp) REVERT: MH 13 ASP cc_start: 0.8888 (t0) cc_final: 0.8527 (t0) REVERT: MJ 2 GLU cc_start: 0.8500 (pm20) cc_final: 0.8281 (pm20) REVERT: MK 6 LYS cc_start: 0.9249 (mttm) cc_final: 0.8722 (mmtm) REVERT: MK 9 LYS cc_start: 0.9123 (tptt) cc_final: 0.8829 (tptt) REVERT: MK 13 ASP cc_start: 0.8649 (m-30) cc_final: 0.8215 (m-30) REVERT: ML 12 LYS cc_start: 0.9371 (tmmt) cc_final: 0.9037 (tmmt) REVERT: MO 2 GLU cc_start: 0.8767 (tp30) cc_final: 0.8461 (tp30) REVERT: MO 6 LYS cc_start: 0.9226 (mtpp) cc_final: 0.8977 (mtpp) REVERT: MO 9 LYS cc_start: 0.9149 (tptt) cc_final: 0.8697 (tptp) REVERT: MO 13 ASP cc_start: 0.8767 (m-30) cc_final: 0.8072 (m-30) REVERT: MR 2 GLU cc_start: 0.8390 (pm20) cc_final: 0.8134 (pm20) REVERT: MR 11 PHE cc_start: 0.9031 (m-10) cc_final: 0.8686 (m-80) REVERT: MS 9 LYS cc_start: 0.9180 (tptm) cc_final: 0.8859 (tptm) REVERT: MT 21 ASN cc_start: 0.7045 (p0) cc_final: 0.6637 (p0) REVERT: MU 1 MET cc_start: 0.5996 (tmm) cc_final: 0.5781 (tmm) REVERT: MX 12 LYS cc_start: 0.9265 (tmmt) cc_final: 0.8952 (tmmt) REVERT: MZ 1 MET cc_start: 0.7813 (ptt) cc_final: 0.7442 (ptt) REVERT: M0 2 GLU cc_start: 0.8875 (tp30) cc_final: 0.8251 (tp30) REVERT: M0 6 LYS cc_start: 0.9066 (ttmm) cc_final: 0.8819 (mmtp) REVERT: M0 9 LYS cc_start: 0.9092 (tptt) cc_final: 0.8706 (tptp) REVERT: M0 13 ASP cc_start: 0.8728 (m-30) cc_final: 0.8076 (m-30) REVERT: M1 1 MET cc_start: 0.7106 (mtm) cc_final: 0.6794 (mtp) REVERT: M1 6 LYS cc_start: 0.9267 (ptmt) cc_final: 0.9042 (ptpp) REVERT: M4 9 LYS cc_start: 0.9219 (tptt) cc_final: 0.8902 (tptt) REVERT: M5 12 LYS cc_start: 0.9396 (tttm) cc_final: 0.9113 (tmmt) REVERT: M6 1 MET cc_start: 0.6557 (ttm) cc_final: 0.6238 (ttt) REVERT: M8 9 LYS cc_start: 0.9166 (tptt) cc_final: 0.8482 (tptm) REVERT: M8 13 ASP cc_start: 0.8741 (m-30) cc_final: 0.7788 (m-30) REVERT: M9 6 LYS cc_start: 0.9208 (ptpt) cc_final: 0.8927 (ptpp) REVERT: NB 2 GLU cc_start: 0.8557 (pm20) cc_final: 0.8224 (pm20) REVERT: NB 12 LYS cc_start: 0.9291 (ttpt) cc_final: 0.8937 (tppt) REVERT: NC 9 LYS cc_start: 0.9204 (tptt) cc_final: 0.8756 (tptm) REVERT: NC 13 ASP cc_start: 0.8637 (m-30) cc_final: 0.7616 (m-30) REVERT: ND 6 LYS cc_start: 0.9355 (ptmt) cc_final: 0.9051 (ptmt) REVERT: ND 13 ASP cc_start: 0.8842 (t0) cc_final: 0.8531 (t0) REVERT: NF 13 ASP cc_start: 0.8919 (t0) cc_final: 0.8393 (t70) REVERT: NG 9 LYS cc_start: 0.9349 (tptm) cc_final: 0.8807 (tppt) REVERT: NH 18 PHE cc_start: 0.8889 (t80) cc_final: 0.8425 (t80) REVERT: NK 1 MET cc_start: 0.7024 (pmm) cc_final: 0.6547 (pmm) REVERT: NK 9 LYS cc_start: 0.9177 (tptm) cc_final: 0.8606 (tptt) REVERT: NK 13 ASP cc_start: 0.8714 (m-30) cc_final: 0.7622 (m-30) REVERT: NL 6 LYS cc_start: 0.9270 (ptpt) cc_final: 0.8930 (pttt) REVERT: NL 13 ASP cc_start: 0.8869 (t0) cc_final: 0.8583 (t0) REVERT: NL 21 ASN cc_start: 0.7326 (p0) cc_final: 0.7070 (p0) REVERT: NM 2 GLU cc_start: 0.7909 (OUTLIER) cc_final: 0.7086 (tm-30) REVERT: NO 2 GLU cc_start: 0.8789 (tp30) cc_final: 0.8260 (tp30) REVERT: NO 6 LYS cc_start: 0.9284 (mmtt) cc_final: 0.8906 (mmtt) REVERT: NO 9 LYS cc_start: 0.9166 (tptt) cc_final: 0.8571 (tptp) REVERT: NO 13 ASP cc_start: 0.8626 (m-30) cc_final: 0.7660 (m-30) REVERT: NP 11 PHE cc_start: 0.8528 (m-80) cc_final: 0.8175 (t80) REVERT: NS 9 LYS cc_start: 0.9279 (tptm) cc_final: 0.8933 (tptt) REVERT: NS 17 LYS cc_start: 0.9044 (mtpt) cc_final: 0.8750 (mtpt) REVERT: NT 6 LYS cc_start: 0.9288 (ptmt) cc_final: 0.8935 (ptmt) REVERT: NT 13 ASP cc_start: 0.8776 (t0) cc_final: 0.8402 (t0) REVERT: NW 2 GLU cc_start: 0.8687 (tp30) cc_final: 0.8418 (tp30) REVERT: NW 6 LYS cc_start: 0.9153 (mmtm) cc_final: 0.8769 (mmtp) REVERT: N0 2 GLU cc_start: 0.8799 (tp30) cc_final: 0.8381 (tp30) REVERT: N0 6 LYS cc_start: 0.9373 (mmtm) cc_final: 0.9127 (mmtt) REVERT: N0 13 ASP cc_start: 0.8580 (m-30) cc_final: 0.8230 (m-30) REVERT: N4 2 GLU cc_start: 0.8771 (tp30) cc_final: 0.8256 (tp30) REVERT: N4 6 LYS cc_start: 0.9221 (mmtp) cc_final: 0.8720 (mttm) REVERT: N4 9 LYS cc_start: 0.9201 (tptm) cc_final: 0.8843 (tptt) REVERT: N6 1 MET cc_start: 0.7460 (ttt) cc_final: 0.6848 (ttt) REVERT: N7 12 LYS cc_start: 0.9216 (ttpt) cc_final: 0.8805 (tppp) REVERT: N8 9 LYS cc_start: 0.9076 (tptt) cc_final: 0.8767 (tptm) REVERT: N8 13 ASP cc_start: 0.8614 (m-30) cc_final: 0.8162 (m-30) REVERT: N9 12 LYS cc_start: 0.9260 (tmmt) cc_final: 0.9016 (tmmt) REVERT: N9 13 ASP cc_start: 0.8828 (t0) cc_final: 0.8508 (t0) REVERT: N9 21 ASN cc_start: 0.7528 (OUTLIER) cc_final: 0.7218 (p0) REVERT: OC 9 LYS cc_start: 0.9307 (tptm) cc_final: 0.8702 (tptp) REVERT: OC 13 ASP cc_start: 0.8773 (m-30) cc_final: 0.8029 (m-30) REVERT: OD 1 MET cc_start: 0.7013 (mtm) cc_final: 0.6760 (mtm) REVERT: OD 6 LYS cc_start: 0.9226 (ptmt) cc_final: 0.8933 (ptpp) REVERT: OF 12 LYS cc_start: 0.9182 (tttm) cc_final: 0.8858 (tppt) REVERT: OG 9 LYS cc_start: 0.8986 (tptp) cc_final: 0.8675 (tptt) REVERT: OG 18 PHE cc_start: 0.8715 (OUTLIER) cc_final: 0.8103 (t80) REVERT: OH 1 MET cc_start: 0.7136 (mtm) cc_final: 0.6895 (mtm) REVERT: OH 6 LYS cc_start: 0.9271 (ptmt) cc_final: 0.8832 (ptmt) REVERT: OJ 12 LYS cc_start: 0.9358 (tttt) cc_final: 0.9071 (tptm) REVERT: OK 2 GLU cc_start: 0.8701 (tp30) cc_final: 0.8080 (tp30) REVERT: OK 6 LYS cc_start: 0.9384 (mttm) cc_final: 0.8994 (mttm) REVERT: OK 9 LYS cc_start: 0.9282 (tptm) cc_final: 0.9019 (tptt) REVERT: OK 13 ASP cc_start: 0.8840 (m-30) cc_final: 0.8334 (m-30) REVERT: OL 15 LEU cc_start: 0.8865 (OUTLIER) cc_final: 0.8618 (tt) REVERT: OM 1 MET cc_start: 0.6230 (tmm) cc_final: 0.5777 (tmm) REVERT: OO 9 LYS cc_start: 0.9138 (tptt) cc_final: 0.8764 (tptt) REVERT: OP 1 MET cc_start: 0.7345 (mtm) cc_final: 0.7047 (mtm) REVERT: OP 6 LYS cc_start: 0.9175 (ptmt) cc_final: 0.8899 (ptpp) REVERT: OR 12 LYS cc_start: 0.9291 (ttpt) cc_final: 0.8793 (tppt) REVERT: OR 13 ASP cc_start: 0.8911 (t0) cc_final: 0.8339 (t70) REVERT: OS 9 LYS cc_start: 0.9202 (tptm) cc_final: 0.8381 (tptt) REVERT: OS 13 ASP cc_start: 0.8711 (m-30) cc_final: 0.7625 (m-30) REVERT: OT 1 MET cc_start: 0.7271 (mtm) cc_final: 0.6738 (mtm) REVERT: OT 15 LEU cc_start: 0.8997 (OUTLIER) cc_final: 0.8496 (tp) REVERT: OV 9 LYS cc_start: 0.8976 (ttmm) cc_final: 0.8735 (tppt) REVERT: OX 6 LYS cc_start: 0.9290 (ptmt) cc_final: 0.8977 (ptpp) REVERT: O0 13 ASP cc_start: 0.8670 (OUTLIER) cc_final: 0.8312 (m-30) REVERT: O1 6 LYS cc_start: 0.9303 (ptmt) cc_final: 0.9071 (ptpp) REVERT: O1 12 LYS cc_start: 0.9298 (tmmt) cc_final: 0.9012 (tmmt) REVERT: O2 8 PHE cc_start: 0.9146 (m-80) cc_final: 0.8802 (m-80) REVERT: O3 6 LYS cc_start: 0.9197 (ttmm) cc_final: 0.8968 (mtmm) REVERT: O4 1 MET cc_start: 0.4249 (OUTLIER) cc_final: 0.3355 (mmt) REVERT: O4 9 LYS cc_start: 0.9188 (tptm) cc_final: 0.8864 (tptp) REVERT: O4 13 ASP cc_start: 0.8842 (m-30) cc_final: 0.8381 (m-30) REVERT: O4 17 LYS cc_start: 0.9162 (mtpp) cc_final: 0.8861 (mtpp) REVERT: O5 6 LYS cc_start: 0.9357 (ptpt) cc_final: 0.8972 (ptpp) REVERT: O5 13 ASP cc_start: 0.8776 (t0) cc_final: 0.8486 (t70) REVERT: O8 9 LYS cc_start: 0.9179 (tptt) cc_final: 0.8701 (tptp) REVERT: O8 13 ASP cc_start: 0.8577 (m-30) cc_final: 0.7632 (m-30) REVERT: O8 15 LEU cc_start: 0.8324 (OUTLIER) cc_final: 0.8115 (tp) REVERT: PC 2 GLU cc_start: 0.8759 (tp30) cc_final: 0.8337 (tp30) REVERT: PC 9 LYS cc_start: 0.9195 (tptm) cc_final: 0.8434 (tptm) REVERT: PC 13 ASP cc_start: 0.8825 (m-30) cc_final: 0.8046 (m-30) REVERT: PF 15 LEU cc_start: 0.9653 (tp) cc_final: 0.9443 (tp) REVERT: PG 9 LYS cc_start: 0.9292 (tptm) cc_final: 0.8880 (tppt) REVERT: PH 6 LYS cc_start: 0.9070 (ptpp) cc_final: 0.8726 (ptmm) REVERT: PK 13 ASP cc_start: 0.8760 (m-30) cc_final: 0.8477 (m-30) REVERT: PN 13 ASP cc_start: 0.9080 (t0) cc_final: 0.8722 (t0) REVERT: PO 9 LYS cc_start: 0.9155 (tptt) cc_final: 0.8553 (tptm) REVERT: PO 13 ASP cc_start: 0.8583 (m-30) cc_final: 0.7646 (m-30) REVERT: PP 6 LYS cc_start: 0.9242 (ptmt) cc_final: 0.9000 (ptpp) REVERT: PP 21 ASN cc_start: 0.7714 (p0) cc_final: 0.7468 (p0) REVERT: PS 9 LYS cc_start: 0.9252 (tptm) cc_final: 0.8780 (tptm) REVERT: PS 13 ASP cc_start: 0.8902 (m-30) cc_final: 0.8123 (m-30) REVERT: PS 19 LEU cc_start: 0.8220 (OUTLIER) cc_final: 0.8002 (tt) REVERT: PV 12 LYS cc_start: 0.9282 (tttm) cc_final: 0.8620 (tptp) REVERT: PV 13 ASP cc_start: 0.9054 (t0) cc_final: 0.8572 (t0) REVERT: PW 9 LYS cc_start: 0.9213 (tptt) cc_final: 0.8722 (tptm) REVERT: PW 13 ASP cc_start: 0.8628 (m-30) cc_final: 0.7671 (m-30) REVERT: PX 6 LYS cc_start: 0.9278 (ptmt) cc_final: 0.8980 (ptpp) REVERT: PZ 12 LYS cc_start: 0.9351 (ttpt) cc_final: 0.8873 (tppt) REVERT: P0 9 LYS cc_start: 0.9179 (tptt) cc_final: 0.8881 (tptt) REVERT: P1 15 LEU cc_start: 0.8656 (OUTLIER) cc_final: 0.8404 (tp) REVERT: P3 9 LYS cc_start: 0.9320 (tppt) cc_final: 0.9079 (ttmm) REVERT: P4 2 GLU cc_start: 0.8975 (tp30) cc_final: 0.8689 (tp30) REVERT: P4 9 LYS cc_start: 0.9174 (tptm) cc_final: 0.8379 (tptt) REVERT: P4 13 ASP cc_start: 0.8746 (m-30) cc_final: 0.7605 (m-30) REVERT: P5 6 LYS cc_start: 0.9318 (ptmt) cc_final: 0.9094 (ptpp) REVERT: P5 12 LYS cc_start: 0.9366 (tmmt) cc_final: 0.9062 (tmmt) REVERT: P7 2 GLU cc_start: 0.8465 (pm20) cc_final: 0.8184 (pm20) REVERT: P8 9 LYS cc_start: 0.9154 (tptm) cc_final: 0.8767 (tptm) REVERT: P9 1 MET cc_start: 0.7411 (mtm) cc_final: 0.7129 (mtm) REVERT: QA 1 MET cc_start: 0.6235 (ttt) cc_final: 0.5743 (ttt) REVERT: QC 9 LYS cc_start: 0.9205 (tptt) cc_final: 0.8806 (tptm) REVERT: QC 13 ASP cc_start: 0.8635 (m-30) cc_final: 0.7923 (m-30) REVERT: QD 6 LYS cc_start: 0.9318 (ptmt) cc_final: 0.9010 (ptpp) REVERT: QD 13 ASP cc_start: 0.8915 (t0) cc_final: 0.8627 (t0) REVERT: QG 9 LYS cc_start: 0.9274 (tptt) cc_final: 0.8864 (tptm) REVERT: QG 13 ASP cc_start: 0.8641 (m-30) cc_final: 0.7840 (m-30) REVERT: QH 6 LYS cc_start: 0.9246 (ptmt) cc_final: 0.8944 (ptpp) REVERT: QH 12 LYS cc_start: 0.9393 (tmmt) cc_final: 0.9057 (tmmt) REVERT: QK 9 LYS cc_start: 0.9177 (tptm) cc_final: 0.8783 (tptm) REVERT: QL 12 LYS cc_start: 0.9309 (tmmt) cc_final: 0.9084 (tmmt) REVERT: QN 2 GLU cc_start: 0.8374 (pm20) cc_final: 0.8031 (pm20) REVERT: QO 9 LYS cc_start: 0.9152 (tptt) cc_final: 0.8910 (tptm) REVERT: QO 13 ASP cc_start: 0.8590 (m-30) cc_final: 0.8201 (m-30) REVERT: QP 12 LYS cc_start: 0.9337 (tmmt) cc_final: 0.8983 (tmmt) REVERT: QP 15 LEU cc_start: 0.8788 (OUTLIER) cc_final: 0.8501 (tp) REVERT: QP 18 PHE cc_start: 0.8682 (t80) cc_final: 0.8263 (t80) REVERT: QQ 1 MET cc_start: 0.7027 (ttp) cc_final: 0.6162 (tmm) REVERT: QR 1 MET cc_start: 0.7155 (ptp) cc_final: 0.6952 (ptt) REVERT: QT 13 ASP cc_start: 0.8845 (t0) cc_final: 0.8529 (t0) REVERT: QU 2 GLU cc_start: 0.7109 (tm-30) cc_final: 0.6276 (pp20) REVERT: QW 9 LYS cc_start: 0.9270 (tptm) cc_final: 0.8901 (tptt) REVERT: QX 1 MET cc_start: 0.7217 (mtm) cc_final: 0.6904 (mtm) REVERT: QX 6 LYS cc_start: 0.9283 (ptmt) cc_final: 0.8801 (ptpp) REVERT: QX 21 ASN cc_start: 0.7500 (p0) cc_final: 0.7143 (p0) REVERT: QZ 12 LYS cc_start: 0.9129 (ttpt) cc_final: 0.8597 (tptp) REVERT: Q1 13 ASP cc_start: 0.8918 (t0) cc_final: 0.8533 (t0) REVERT: Q1 21 ASN cc_start: 0.7547 (p0) cc_final: 0.7191 (p0) REVERT: Q4 2 GLU cc_start: 0.8955 (tp30) cc_final: 0.8596 (tp30) REVERT: Q4 6 LYS cc_start: 0.9389 (mmtt) cc_final: 0.9073 (mmtp) REVERT: Q4 9 LYS cc_start: 0.9186 (tptt) cc_final: 0.8945 (tptp) REVERT: Q5 13 ASP cc_start: 0.8790 (t0) cc_final: 0.8500 (t0) REVERT: Q7 2 GLU cc_start: 0.8503 (pm20) cc_final: 0.8210 (pm20) REVERT: Q8 2 GLU cc_start: 0.8918 (tp30) cc_final: 0.8155 (tp30) REVERT: Q8 6 LYS cc_start: 0.9429 (mmtt) cc_final: 0.8938 (mmtp) REVERT: Q8 9 LYS cc_start: 0.9196 (tptt) cc_final: 0.8942 (tptt) REVERT: Q8 13 ASP cc_start: 0.8716 (m-30) cc_final: 0.8185 (m-30) REVERT: Q9 1 MET cc_start: 0.7326 (mtm) cc_final: 0.7041 (mtm) REVERT: RA 1 MET cc_start: 0.6285 (OUTLIER) cc_final: 0.6002 (ttm) REVERT: RC 9 LYS cc_start: 0.9187 (tptt) cc_final: 0.8960 (tptm) REVERT: RC 13 ASP cc_start: 0.8634 (m-30) cc_final: 0.8198 (m-30) REVERT: RD 6 LYS cc_start: 0.9299 (ptmt) cc_final: 0.8962 (ptpp) REVERT: RD 15 LEU cc_start: 0.8767 (OUTLIER) cc_final: 0.8466 (tt) REVERT: RE 1 MET cc_start: 0.6072 (tmm) cc_final: 0.5815 (tmm) REVERT: RF 2 GLU cc_start: 0.8143 (pm20) cc_final: 0.7789 (pm20) REVERT: RG 9 LYS cc_start: 0.9264 (tptt) cc_final: 0.8989 (tptm) REVERT: RG 13 ASP cc_start: 0.8693 (m-30) cc_final: 0.8069 (m-30) REVERT: RH 13 ASP cc_start: 0.8778 (t0) cc_final: 0.8468 (t0) REVERT: RH 21 ASN cc_start: 0.7353 (p0) cc_final: 0.7136 (p0) REVERT: RI 1 MET cc_start: 0.6220 (ttt) cc_final: 0.5972 (ttt) REVERT: RJ 2 GLU cc_start: 0.8426 (pm20) cc_final: 0.8210 (pm20) REVERT: RJ 12 LYS cc_start: 0.9142 (tttm) cc_final: 0.8828 (tppt) REVERT: RK 9 LYS cc_start: 0.9143 (tptm) cc_final: 0.8709 (tptt) REVERT: RK 13 ASP cc_start: 0.8779 (m-30) cc_final: 0.8064 (m-30) REVERT: RK 18 PHE cc_start: 0.8843 (OUTLIER) cc_final: 0.8331 (t80) REVERT: RL 6 LYS cc_start: 0.9047 (ptpp) cc_final: 0.8845 (ptmm) REVERT: RL 13 ASP cc_start: 0.8900 (t0) cc_final: 0.8672 (t70) REVERT: RN 12 LYS cc_start: 0.9054 (tptm) cc_final: 0.8574 (tppt) REVERT: RO 9 LYS cc_start: 0.9200 (tptt) cc_final: 0.8715 (tptp) REVERT: RO 13 ASP cc_start: 0.8742 (m-30) cc_final: 0.7410 (m-30) REVERT: RP 12 LYS cc_start: 0.9457 (tmmt) cc_final: 0.9180 (tmmt) REVERT: RQ 13 ASP cc_start: 0.8474 (OUTLIER) cc_final: 0.8204 (p0) REVERT: RT 6 LYS cc_start: 0.9333 (ptmt) cc_final: 0.9077 (ptpp) REVERT: RT 18 PHE cc_start: 0.8954 (t80) cc_final: 0.8641 (t80) REVERT: RU 2 GLU cc_start: 0.8726 (tp30) cc_final: 0.8503 (tp30) REVERT: RV 2 GLU cc_start: 0.8276 (pm20) cc_final: 0.7855 (pm20) REVERT: RV 12 LYS cc_start: 0.9185 (tttt) cc_final: 0.8532 (tptp) REVERT: RW 1 MET cc_start: 0.3917 (OUTLIER) cc_final: 0.2679 (mmt) REVERT: RW 9 LYS cc_start: 0.9298 (tptt) cc_final: 0.8972 (tptm) REVERT: RW 13 ASP cc_start: 0.8594 (m-30) cc_final: 0.7977 (m-30) REVERT: RY 1 MET cc_start: 0.6651 (ttt) cc_final: 0.6253 (ttt) REVERT: R0 2 GLU cc_start: 0.8852 (tp30) cc_final: 0.8402 (tp30) REVERT: R0 6 LYS cc_start: 0.9376 (mmtt) cc_final: 0.9026 (mmtp) REVERT: R1 6 LYS cc_start: 0.9310 (ptmt) cc_final: 0.9048 (ptpp) REVERT: R3 2 GLU cc_start: 0.8482 (pm20) cc_final: 0.8194 (pm20) REVERT: R4 6 LYS cc_start: 0.9366 (mmtm) cc_final: 0.8970 (mmtp) REVERT: R4 9 LYS cc_start: 0.9236 (tptm) cc_final: 0.8926 (tptm) REVERT: R4 13 ASP cc_start: 0.8894 (OUTLIER) cc_final: 0.8602 (m-30) REVERT: R5 6 LYS cc_start: 0.9284 (ptmt) cc_final: 0.8912 (ptmt) REVERT: R7 9 LYS cc_start: 0.9241 (tppt) cc_final: 0.9027 (ttmm) REVERT: R8 9 LYS cc_start: 0.9228 (tptm) cc_final: 0.8583 (tptp) REVERT: R8 13 ASP cc_start: 0.8815 (OUTLIER) cc_final: 0.7776 (m-30) REVERT: SA 1 MET cc_start: 0.5883 (tmm) cc_final: 0.5622 (tmm) REVERT: SC 9 LYS cc_start: 0.9248 (tptt) cc_final: 0.8847 (tptm) REVERT: SC 13 ASP cc_start: 0.8562 (m-30) cc_final: 0.7906 (m-30) REVERT: SC 17 LYS cc_start: 0.9084 (mtpt) cc_final: 0.8799 (mtpt) REVERT: SD 6 LYS cc_start: 0.9220 (ptpt) cc_final: 0.8992 (ptpp) REVERT: SG 2 GLU cc_start: 0.9091 (tp30) cc_final: 0.8757 (tp30) REVERT: SG 6 LYS cc_start: 0.9372 (mmtt) cc_final: 0.9068 (mmtm) REVERT: SG 9 LYS cc_start: 0.9248 (tptm) cc_final: 0.8910 (tptm) REVERT: SG 13 ASP cc_start: 0.8602 (m-30) cc_final: 0.7753 (m-30) REVERT: SG 18 PHE cc_start: 0.8676 (OUTLIER) cc_final: 0.8091 (t80) REVERT: SH 6 LYS cc_start: 0.9159 (ptpp) cc_final: 0.8819 (ptmm) REVERT: SI 13 ASP cc_start: 0.8329 (OUTLIER) cc_final: 0.8114 (p0) REVERT: SJ 12 LYS cc_start: 0.9255 (tttm) cc_final: 0.8840 (tppt) REVERT: SK 2 GLU cc_start: 0.8701 (tp30) cc_final: 0.7996 (tp30) REVERT: SK 6 LYS cc_start: 0.9340 (mmtm) cc_final: 0.8871 (mtpp) REVERT: SK 9 LYS cc_start: 0.9264 (tptm) cc_final: 0.8843 (tptt) REVERT: SK 13 ASP cc_start: 0.8659 (m-30) cc_final: 0.8176 (m-30) REVERT: SL 6 LYS cc_start: 0.9169 (ptmt) cc_final: 0.8935 (ptpp) REVERT: SO 2 GLU cc_start: 0.8819 (tp30) cc_final: 0.8612 (tp30) REVERT: SO 9 LYS cc_start: 0.9248 (tptm) cc_final: 0.8735 (tptt) REVERT: SO 13 ASP cc_start: 0.8828 (m-30) cc_final: 0.8108 (m-30) REVERT: SP 1 MET cc_start: 0.7290 (mtm) cc_final: 0.7012 (mtm) REVERT: SP 6 LYS cc_start: 0.9042 (ptpp) cc_final: 0.8806 (ptmm) REVERT: SP 11 PHE cc_start: 0.8909 (OUTLIER) cc_final: 0.8638 (m-10) REVERT: SP 12 LYS cc_start: 0.9371 (tmmt) cc_final: 0.9047 (tmmt) REVERT: SS 9 LYS cc_start: 0.9217 (tptm) cc_final: 0.8943 (tptm) REVERT: SS 19 LEU cc_start: 0.7935 (OUTLIER) cc_final: 0.7667 (tt) REVERT: ST 13 ASP cc_start: 0.8801 (t0) cc_final: 0.8539 (t0) REVERT: SU 8 PHE cc_start: 0.9216 (m-80) cc_final: 0.8803 (m-80) REVERT: SV 12 LYS cc_start: 0.9283 (ttpt) cc_final: 0.8853 (tppt) REVERT: SW 9 LYS cc_start: 0.9127 (tptm) cc_final: 0.8846 (tptm) REVERT: SW 13 ASP cc_start: 0.8852 (m-30) cc_final: 0.8501 (m-30) REVERT: SW 18 PHE cc_start: 0.8764 (OUTLIER) cc_final: 0.8461 (t80) REVERT: SX 6 LYS cc_start: 0.9219 (ptmt) cc_final: 0.8927 (ptpp) REVERT: S0 9 LYS cc_start: 0.8983 (tptt) cc_final: 0.8699 (tptm) REVERT: S0 13 ASP cc_start: 0.8702 (m-30) cc_final: 0.8006 (m-30) REVERT: S1 6 LYS cc_start: 0.9309 (ptpt) cc_final: 0.8932 (ptmt) REVERT: S4 2 GLU cc_start: 0.8782 (tp30) cc_final: 0.8409 (tp30) REVERT: S4 6 LYS cc_start: 0.9220 (mmtp) cc_final: 0.8973 (mmtp) REVERT: S4 17 LYS cc_start: 0.9054 (mtpt) cc_final: 0.8490 (mtpp) REVERT: S4 18 PHE cc_start: 0.8839 (OUTLIER) cc_final: 0.8416 (t80) REVERT: S5 6 LYS cc_start: 0.9316 (ptmt) cc_final: 0.8913 (ptpt) REVERT: S6 13 ASP cc_start: 0.8670 (t0) cc_final: 0.7848 (t0) REVERT: S7 11 PHE cc_start: 0.9087 (m-10) cc_final: 0.8803 (m-80) REVERT: S8 13 ASP cc_start: 0.8703 (m-30) cc_final: 0.8472 (m-30) REVERT: TB 1 MET cc_start: 0.6573 (ptt) cc_final: 0.6369 (ptt) REVERT: TB 9 LYS cc_start: 0.9278 (tppt) cc_final: 0.9060 (ttmm) REVERT: TB 12 LYS cc_start: 0.9195 (ttpt) cc_final: 0.8652 (tptp) REVERT: TC 9 LYS cc_start: 0.9288 (tptt) cc_final: 0.9070 (tptt) REVERT: TC 13 ASP cc_start: 0.8673 (m-30) cc_final: 0.8295 (m-30) REVERT: TE 1 MET cc_start: 0.7260 (ttt) cc_final: 0.6813 (tpp) REVERT: TE 13 ASP cc_start: 0.8614 (OUTLIER) cc_final: 0.8364 (p0) REVERT: TF 9 LYS cc_start: 0.9257 (tppt) cc_final: 0.9015 (ttmm) REVERT: TG 9 LYS cc_start: 0.9322 (tptm) cc_final: 0.8858 (tptt) REVERT: TK 9 LYS cc_start: 0.9217 (tptt) cc_final: 0.8838 (tptm) REVERT: TK 12 LYS cc_start: 0.9064 (ttmt) cc_final: 0.8643 (mptt) REVERT: TK 13 ASP cc_start: 0.8738 (m-30) cc_final: 0.8023 (m-30) REVERT: TL 6 LYS cc_start: 0.9254 (ptmt) cc_final: 0.8929 (ptpp) REVERT: TM 1 MET cc_start: 0.6892 (tmm) cc_final: 0.6050 (tmm) REVERT: TO 9 LYS cc_start: 0.9221 (tptt) cc_final: 0.8874 (tptt) REVERT: TO 12 LYS cc_start: 0.9162 (ttmt) cc_final: 0.8934 (mptt) REVERT: TO 17 LYS cc_start: 0.9174 (mtpp) cc_final: 0.8845 (mtpp) REVERT: TP 6 LYS cc_start: 0.9204 (ptpt) cc_final: 0.8977 (pttt) REVERT: TP 12 LYS cc_start: 0.9274 (tmmt) cc_final: 0.8942 (tmmt) REVERT: TP 13 ASP cc_start: 0.8694 (t0) cc_final: 0.8393 (t0) REVERT: TR 12 LYS cc_start: 0.9179 (tttm) cc_final: 0.8776 (tptt) REVERT: TS 13 ASP cc_start: 0.8523 (m-30) cc_final: 0.8283 (m-30) REVERT: TT 6 LYS cc_start: 0.9203 (ptpt) cc_final: 0.8914 (ptmt) REVERT: TT 12 LYS cc_start: 0.9372 (tmmt) cc_final: 0.9115 (tmmt) REVERT: TV 12 LYS cc_start: 0.9111 (tttm) cc_final: 0.8684 (tppt) REVERT: TW 9 LYS cc_start: 0.9158 (tptt) cc_final: 0.8895 (tptm) REVERT: TW 12 LYS cc_start: 0.9100 (ttmt) cc_final: 0.8806 (mptt) REVERT: TW 13 ASP cc_start: 0.8680 (m-30) cc_final: 0.8093 (m-30) REVERT: TX 1 MET cc_start: 0.6956 (mtm) cc_final: 0.6741 (mtm) REVERT: TZ 2 GLU cc_start: 0.8390 (pm20) cc_final: 0.8110 (pm20) REVERT: TZ 12 LYS cc_start: 0.9129 (tttm) cc_final: 0.8845 (tppt) REVERT: T0 9 LYS cc_start: 0.9169 (tptm) cc_final: 0.8843 (tptm) REVERT: T0 12 LYS cc_start: 0.9069 (ttmt) cc_final: 0.8712 (mptt) REVERT: T4 9 LYS cc_start: 0.9306 (tptt) cc_final: 0.8913 (tptp) REVERT: T4 13 ASP cc_start: 0.8569 (m-30) cc_final: 0.7611 (m-30) REVERT: T5 12 LYS cc_start: 0.9351 (tmmt) cc_final: 0.9007 (tmmt) REVERT: T5 21 ASN cc_start: 0.6890 (p0) cc_final: 0.6615 (p0) REVERT: T6 8 PHE cc_start: 0.8917 (m-80) cc_final: 0.8638 (m-80) REVERT: T6 13 ASP cc_start: 0.8804 (t0) cc_final: 0.8514 (t0) REVERT: T7 12 LYS cc_start: 0.9188 (tttm) cc_final: 0.8759 (tppt) REVERT: T8 2 GLU cc_start: 0.8670 (tp30) cc_final: 0.8338 (tp30) REVERT: T8 9 LYS cc_start: 0.9146 (tptt) cc_final: 0.8654 (tptm) REVERT: T8 12 LYS cc_start: 0.9126 (ttmt) cc_final: 0.8785 (mptt) REVERT: T8 13 ASP cc_start: 0.8587 (m-30) cc_final: 0.7704 (m-30) REVERT: UB 9 LYS cc_start: 0.9113 (tppt) cc_final: 0.8860 (ttmm) REVERT: UB 12 LYS cc_start: 0.9070 (tttm) cc_final: 0.8848 (tppt) REVERT: UB 13 ASP cc_start: 0.8924 (t0) cc_final: 0.8499 (t0) REVERT: UC 12 LYS cc_start: 0.8979 (ttmt) cc_final: 0.8542 (mptt) REVERT: UE 2 GLU cc_start: 0.8457 (tp30) cc_final: 0.7979 (tp30) REVERT: UG 2 GLU cc_start: 0.8859 (tp30) cc_final: 0.8448 (tp30) REVERT: UG 9 LYS cc_start: 0.9201 (tptm) cc_final: 0.8401 (tptt) REVERT: UG 12 LYS cc_start: 0.9103 (ttmt) cc_final: 0.8768 (mptt) REVERT: UG 13 ASP cc_start: 0.8602 (m-30) cc_final: 0.7490 (m-30) REVERT: UH 6 LYS cc_start: 0.9258 (ptmt) cc_final: 0.8902 (ptpp) REVERT: UI 1 MET cc_start: 0.5943 (tmm) cc_final: 0.5317 (tmm) REVERT: UJ 9 LYS cc_start: 0.9152 (tppt) cc_final: 0.8917 (ttmm) REVERT: UK 9 LYS cc_start: 0.9141 (tptt) cc_final: 0.8728 (tptp) REVERT: UK 13 ASP cc_start: 0.8706 (m-30) cc_final: 0.7603 (m-30) REVERT: UL 13 ASP cc_start: 0.8831 (t0) cc_final: 0.8575 (t0) REVERT: UL 21 ASN cc_start: 0.7733 (p0) cc_final: 0.7310 (p0) REVERT: UO 1 MET cc_start: 0.4268 (OUTLIER) cc_final: 0.3379 (mmt) REVERT: UO 9 LYS cc_start: 0.9214 (tptm) cc_final: 0.8927 (tptt) REVERT: UO 13 ASP cc_start: 0.8660 (m-30) cc_final: 0.7897 (m-30) REVERT: UP 12 LYS cc_start: 0.9401 (tmmt) cc_final: 0.9130 (tmmt) REVERT: UQ 1 MET cc_start: 0.7212 (ttp) cc_final: 0.6934 (ttm) REVERT: UQ 8 PHE cc_start: 0.9043 (m-80) cc_final: 0.8674 (m-80) REVERT: US 9 LYS cc_start: 0.9146 (tptt) cc_final: 0.8755 (tptm) REVERT: US 13 ASP cc_start: 0.8618 (m-30) cc_final: 0.7833 (m-30) REVERT: UT 6 LYS cc_start: 0.9234 (ptmt) cc_final: 0.9000 (ptpp) REVERT: UU 9 LYS cc_start: 0.9247 (tppt) cc_final: 0.9001 (tppt) outliers start: 638 outliers final: 419 residues processed: 5974 average time/residue: 1.2975 time to fit residues: 13330.4309 Evaluate side-chains 5790 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 488 poor density : 5302 time to evaluate : 13.347 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain C residue 2 GLU Chi-restraints excluded: chain C residue 4 VAL Chi-restraints excluded: chain E residue 15 LEU Chi-restraints excluded: chain F residue 15 LEU Chi-restraints excluded: chain G residue 4 VAL Chi-restraints excluded: chain L residue 15 LEU Chi-restraints excluded: chain M residue 18 PHE Chi-restraints excluded: chain Q residue 1 MET Chi-restraints excluded: chain Q residue 18 PHE Chi-restraints excluded: chain R residue 11 PHE Chi-restraints excluded: chain R residue 12 LYS Chi-restraints excluded: chain S residue 2 GLU Chi-restraints excluded: chain S residue 4 VAL Chi-restraints excluded: chain T residue 14 LEU Chi-restraints excluded: chain W residue 4 VAL Chi-restraints excluded: chain X residue 17 LYS Chi-restraints excluded: chain Y residue 15 LEU Chi-restraints excluded: chain Y residue 19 LEU Chi-restraints excluded: chain Z residue 22 ASN Chi-restraints excluded: chain 0 residue 4 VAL Chi-restraints excluded: chain 0 residue 19 LEU Chi-restraints excluded: chain 3 residue 11 PHE Chi-restraints excluded: chain 4 residue 2 GLU Chi-restraints excluded: chain 4 residue 4 VAL Chi-restraints excluded: chain 5 residue 14 LEU Chi-restraints excluded: chain 6 residue 15 LEU Chi-restraints excluded: chain 6 residue 19 LEU Chi-restraints excluded: chain 7 residue 15 LEU Chi-restraints excluded: chain 8 residue 4 VAL Chi-restraints excluded: chain 9 residue 14 LEU Chi-restraints excluded: chain b residue 11 PHE Chi-restraints excluded: chain d residue 14 LEU Chi-restraints excluded: chain d residue 15 LEU Chi-restraints excluded: chain e residue 11 PHE Chi-restraints excluded: chain e residue 15 LEU Chi-restraints excluded: chain k residue 2 GLU Chi-restraints excluded: chain m residue 4 VAL Chi-restraints excluded: chain m residue 15 LEU Chi-restraints excluded: chain o residue 2 GLU Chi-restraints excluded: chain s residue 2 GLU Chi-restraints excluded: chain s residue 4 VAL Chi-restraints excluded: chain v residue 3 PHE Chi-restraints excluded: chain v residue 11 PHE Chi-restraints excluded: chain z residue 15 LEU Chi-restraints excluded: chain AA residue 1 MET Chi-restraints excluded: chain AA residue 4 VAL Chi-restraints excluded: chain AB residue 14 LEU Chi-restraints excluded: chain AC residue 13 ASP Chi-restraints excluded: chain AI residue 4 VAL Chi-restraints excluded: chain AM residue 4 VAL Chi-restraints excluded: chain AO residue 19 LEU Chi-restraints excluded: chain AQ residue 1 MET Chi-restraints excluded: chain AQ residue 4 VAL Chi-restraints excluded: chain AT residue 3 PHE Chi-restraints excluded: chain AU residue 7 LEU Chi-restraints excluded: chain AV residue 14 LEU Chi-restraints excluded: chain AW residue 15 LEU Chi-restraints excluded: chain AW residue 18 PHE Chi-restraints excluded: chain AX residue 21 ASN Chi-restraints excluded: chain AY residue 4 VAL Chi-restraints excluded: chain AZ residue 14 LEU Chi-restraints excluded: chain A0 residue 15 LEU Chi-restraints excluded: chain A0 residue 19 LEU Chi-restraints excluded: chain A2 residue 4 VAL Chi-restraints excluded: chain A4 residue 15 LEU Chi-restraints excluded: chain A5 residue 11 PHE Chi-restraints excluded: chain A6 residue 4 VAL Chi-restraints excluded: chain BA residue 4 VAL Chi-restraints excluded: chain BC residue 15 LEU Chi-restraints excluded: chain BD residue 11 PHE Chi-restraints excluded: chain BE residue 4 VAL Chi-restraints excluded: chain BF residue 14 LEU Chi-restraints excluded: chain BG residue 14 LEU Chi-restraints excluded: chain BH residue 11 PHE Chi-restraints excluded: chain BI residue 4 VAL Chi-restraints excluded: chain BJ residue 14 LEU Chi-restraints excluded: chain BK residue 15 LEU Chi-restraints excluded: chain BM residue 4 VAL Chi-restraints excluded: chain BN residue 14 LEU Chi-restraints excluded: chain BO residue 12 LYS Chi-restraints excluded: chain BO residue 18 PHE Chi-restraints excluded: chain BQ residue 4 VAL Chi-restraints excluded: chain BR residue 14 LEU Chi-restraints excluded: chain BT residue 22 ASN Chi-restraints excluded: chain BU residue 4 VAL Chi-restraints excluded: chain BX residue 9 LYS Chi-restraints excluded: chain BY residue 4 VAL Chi-restraints excluded: chain B3 residue 15 LEU Chi-restraints excluded: chain B6 residue 4 VAL Chi-restraints excluded: chain B9 residue 3 PHE Chi-restraints excluded: chain B9 residue 11 PHE Chi-restraints excluded: chain CA residue 4 VAL Chi-restraints excluded: chain CC residue 19 LEU Chi-restraints excluded: chain CD residue 22 ASN Chi-restraints excluded: chain CE residue 4 VAL Chi-restraints excluded: chain CH residue 3 PHE Chi-restraints excluded: chain CL residue 11 PHE Chi-restraints excluded: chain CQ residue 4 VAL Chi-restraints excluded: chain CR residue 14 LEU Chi-restraints excluded: chain CR residue 19 LEU Chi-restraints excluded: chain CT residue 11 PHE Chi-restraints excluded: chain CU residue 1 MET Chi-restraints excluded: chain CU residue 14 LEU Chi-restraints excluded: chain CY residue 4 VAL Chi-restraints excluded: chain CZ residue 14 LEU Chi-restraints excluded: chain C1 residue 11 PHE Chi-restraints excluded: chain C1 residue 22 ASN Chi-restraints excluded: chain C2 residue 4 VAL Chi-restraints excluded: chain C4 residue 15 LEU Chi-restraints excluded: chain C6 residue 4 VAL Chi-restraints excluded: chain C9 residue 11 PHE Chi-restraints excluded: chain DA residue 4 VAL Chi-restraints excluded: chain DA residue 14 LEU Chi-restraints excluded: chain DD residue 11 PHE Chi-restraints excluded: chain DI residue 4 VAL Chi-restraints excluded: chain DJ residue 14 LEU Chi-restraints excluded: chain DK residue 15 LEU Chi-restraints excluded: chain DL residue 11 PHE Chi-restraints excluded: chain DL residue 12 LYS Chi-restraints excluded: chain DM residue 4 VAL Chi-restraints excluded: chain DN residue 14 LEU Chi-restraints excluded: chain DT residue 3 PHE Chi-restraints excluded: chain DT residue 11 PHE Chi-restraints excluded: chain DT residue 22 ASN Chi-restraints excluded: chain DU residue 4 VAL Chi-restraints excluded: chain DV residue 14 LEU Chi-restraints excluded: chain D0 residue 18 PHE Chi-restraints excluded: chain D1 residue 22 ASN Chi-restraints excluded: chain D2 residue 13 ASP Chi-restraints excluded: chain D3 residue 14 LEU Chi-restraints excluded: chain D5 residue 14 LEU Chi-restraints excluded: chain D5 residue 21 ASN Chi-restraints excluded: chain EA residue 4 VAL Chi-restraints excluded: chain ED residue 11 PHE Chi-restraints excluded: chain ED residue 14 LEU Chi-restraints excluded: chain EE residue 4 VAL Chi-restraints excluded: chain EF residue 14 LEU Chi-restraints excluded: chain EI residue 4 VAL Chi-restraints excluded: chain EL residue 7 LEU Chi-restraints excluded: chain EL residue 11 PHE Chi-restraints excluded: chain EM residue 4 VAL Chi-restraints excluded: chain EQ residue 1 MET Chi-restraints excluded: chain ER residue 14 LEU Chi-restraints excluded: chain EU residue 14 LEU Chi-restraints excluded: chain EV residue 14 LEU Chi-restraints excluded: chain EV residue 19 LEU Chi-restraints excluded: chain EY residue 4 VAL Chi-restraints excluded: chain EY residue 13 ASP Chi-restraints excluded: chain EZ residue 14 LEU Chi-restraints excluded: chain E1 residue 11 PHE Chi-restraints excluded: chain E2 residue 4 VAL Chi-restraints excluded: chain E6 residue 4 VAL Chi-restraints excluded: chain E9 residue 11 PHE Chi-restraints excluded: chain FA residue 4 VAL Chi-restraints excluded: chain FC residue 15 LEU Chi-restraints excluded: chain FC residue 19 LEU Chi-restraints excluded: chain FD residue 11 PHE Chi-restraints excluded: chain FE residue 4 VAL Chi-restraints excluded: chain FH residue 11 PHE Chi-restraints excluded: chain FI residue 4 VAL Chi-restraints excluded: chain FK residue 15 LEU Chi-restraints excluded: chain FM residue 4 VAL Chi-restraints excluded: chain FN residue 14 LEU Chi-restraints excluded: chain FO residue 15 LEU Chi-restraints excluded: chain FP residue 11 PHE Chi-restraints excluded: chain FP residue 22 ASN Chi-restraints excluded: chain FQ residue 4 VAL Chi-restraints excluded: chain FS residue 15 LEU Chi-restraints excluded: chain FU residue 4 VAL Chi-restraints excluded: chain FW residue 15 LEU Chi-restraints excluded: chain F0 residue 18 PHE Chi-restraints excluded: chain F4 residue 15 LEU Chi-restraints excluded: chain F7 residue 14 LEU Chi-restraints excluded: chain GA residue 1 MET Chi-restraints excluded: chain GA residue 13 ASP Chi-restraints excluded: chain GE residue 4 VAL Chi-restraints excluded: chain GG residue 17 LYS Chi-restraints excluded: chain GH residue 21 ASN Chi-restraints excluded: chain GN residue 14 LEU Chi-restraints excluded: chain GS residue 19 LEU Chi-restraints excluded: chain GT residue 11 PHE Chi-restraints excluded: chain GU residue 4 VAL Chi-restraints excluded: chain GY residue 4 VAL Chi-restraints excluded: chain GZ residue 14 LEU Chi-restraints excluded: chain G0 residue 13 ASP Chi-restraints excluded: chain G1 residue 3 PHE Chi-restraints excluded: chain G1 residue 15 LEU Chi-restraints excluded: chain G2 residue 4 VAL Chi-restraints excluded: chain G3 residue 14 LEU Chi-restraints excluded: chain G6 residue 4 VAL Chi-restraints excluded: chain G6 residue 13 ASP Chi-restraints excluded: chain G7 residue 14 LEU Chi-restraints excluded: chain G9 residue 21 ASN Chi-restraints excluded: chain HA residue 4 VAL Chi-restraints excluded: chain HA residue 13 ASP Chi-restraints excluded: chain HB residue 14 LEU Chi-restraints excluded: chain HE residue 1 MET Chi-restraints excluded: chain HE residue 4 VAL Chi-restraints excluded: chain HH residue 11 PHE Chi-restraints excluded: chain HI residue 4 VAL Chi-restraints excluded: chain HL residue 3 PHE Chi-restraints excluded: chain HL residue 11 PHE Chi-restraints excluded: chain HM residue 4 VAL Chi-restraints excluded: chain HO residue 15 LEU Chi-restraints excluded: chain HP residue 22 ASN Chi-restraints excluded: chain HQ residue 4 VAL Chi-restraints excluded: chain HT residue 11 PHE Chi-restraints excluded: chain HU residue 4 VAL Chi-restraints excluded: chain HW residue 15 LEU Chi-restraints excluded: chain HX residue 11 PHE Chi-restraints excluded: chain HY residue 4 VAL Chi-restraints excluded: chain H0 residue 15 LEU Chi-restraints excluded: chain H0 residue 18 PHE Chi-restraints excluded: chain H5 residue 21 ASN Chi-restraints excluded: chain H6 residue 2 GLU Chi-restraints excluded: chain H6 residue 4 VAL Chi-restraints excluded: chain H9 residue 14 LEU Chi-restraints excluded: chain H9 residue 21 ASN Chi-restraints excluded: chain IA residue 1 MET Chi-restraints excluded: chain IA residue 4 VAL Chi-restraints excluded: chain IC residue 15 LEU Chi-restraints excluded: chain IC residue 18 PHE Chi-restraints excluded: chain ID residue 22 ASN Chi-restraints excluded: chain IF residue 14 LEU Chi-restraints excluded: chain II residue 4 VAL Chi-restraints excluded: chain IK residue 4 VAL Chi-restraints excluded: chain IK residue 15 LEU Chi-restraints excluded: chain IL residue 15 LEU Chi-restraints excluded: chain IM residue 4 VAL Chi-restraints excluded: chain IM residue 13 ASP Chi-restraints excluded: chain IN residue 14 LEU Chi-restraints excluded: chain IN residue 19 LEU Chi-restraints excluded: chain IP residue 11 PHE Chi-restraints excluded: chain IP residue 14 LEU Chi-restraints excluded: chain IQ residue 4 VAL Chi-restraints excluded: chain IR residue 14 LEU Chi-restraints excluded: chain IU residue 4 VAL Chi-restraints excluded: chain IV residue 14 LEU Chi-restraints excluded: chain IY residue 1 MET Chi-restraints excluded: chain I2 residue 4 VAL Chi-restraints excluded: chain I6 residue 4 VAL Chi-restraints excluded: chain JB residue 14 LEU Chi-restraints excluded: chain JD residue 22 ASN Chi-restraints excluded: chain JE residue 4 VAL Chi-restraints excluded: chain JF residue 14 LEU Chi-restraints excluded: chain JG residue 13 ASP Chi-restraints excluded: chain JG residue 15 LEU Chi-restraints excluded: chain JI residue 4 VAL Chi-restraints excluded: chain JK residue 18 PHE Chi-restraints excluded: chain JL residue 11 PHE Chi-restraints excluded: chain JO residue 15 LEU Chi-restraints excluded: chain JQ residue 4 VAL Chi-restraints excluded: chain JS residue 15 LEU Chi-restraints excluded: chain JU residue 4 VAL Chi-restraints excluded: chain JU residue 13 ASP Chi-restraints excluded: chain JV residue 14 LEU Chi-restraints excluded: chain JX residue 22 ASN Chi-restraints excluded: chain JY residue 4 VAL Chi-restraints excluded: chain JZ residue 14 LEU Chi-restraints excluded: chain J1 residue 11 PHE Chi-restraints excluded: chain J1 residue 13 ASP Chi-restraints excluded: chain J2 residue 4 VAL Chi-restraints excluded: chain J3 residue 14 LEU Chi-restraints excluded: chain J5 residue 12 LYS Chi-restraints excluded: chain J7 residue 14 LEU Chi-restraints excluded: chain J8 residue 19 LEU Chi-restraints excluded: chain J9 residue 15 LEU Chi-restraints excluded: chain KA residue 4 VAL Chi-restraints excluded: chain KC residue 19 LEU Chi-restraints excluded: chain KE residue 4 VAL Chi-restraints excluded: chain KH residue 11 PHE Chi-restraints excluded: chain KH residue 15 LEU Chi-restraints excluded: chain KI residue 4 VAL Chi-restraints excluded: chain KM residue 4 VAL Chi-restraints excluded: chain KM residue 14 LEU Chi-restraints excluded: chain KO residue 15 LEU Chi-restraints excluded: chain KO residue 18 PHE Chi-restraints excluded: chain KP residue 22 ASN Chi-restraints excluded: chain KQ residue 4 VAL Chi-restraints excluded: chain KR residue 14 LEU Chi-restraints excluded: chain KR residue 19 LEU Chi-restraints excluded: chain KU residue 4 VAL Chi-restraints excluded: chain K9 residue 11 PHE Chi-restraints excluded: chain K9 residue 22 ASN Chi-restraints excluded: chain LA residue 4 VAL Chi-restraints excluded: chain LB residue 14 LEU Chi-restraints excluded: chain LD residue 14 LEU Chi-restraints excluded: chain LE residue 4 VAL Chi-restraints excluded: chain LG residue 15 LEU Chi-restraints excluded: chain LH residue 21 ASN Chi-restraints excluded: chain LH residue 22 ASN Chi-restraints excluded: chain LI residue 4 VAL Chi-restraints excluded: chain LL residue 11 PHE Chi-restraints excluded: chain LP residue 14 LEU Chi-restraints excluded: chain LQ residue 4 VAL Chi-restraints excluded: chain LT residue 3 PHE Chi-restraints excluded: chain LU residue 4 VAL Chi-restraints excluded: chain LZ residue 15 LEU Chi-restraints excluded: chain L0 residue 19 LEU Chi-restraints excluded: chain L2 residue 4 VAL Chi-restraints excluded: chain L6 residue 4 VAL Chi-restraints excluded: chain MA residue 4 VAL Chi-restraints excluded: chain MG residue 1 MET Chi-restraints excluded: chain MI residue 4 VAL Chi-restraints excluded: chain ML residue 22 ASN Chi-restraints excluded: chain MO residue 1 MET Chi-restraints excluded: chain MQ residue 4 VAL Chi-restraints excluded: chain MS residue 15 LEU Chi-restraints excluded: chain MU residue 4 VAL Chi-restraints excluded: chain MV residue 14 LEU Chi-restraints excluded: chain MX residue 11 PHE Chi-restraints excluded: chain MX residue 13 ASP Chi-restraints excluded: chain M0 residue 1 MET Chi-restraints excluded: chain M0 residue 15 LEU Chi-restraints excluded: chain M1 residue 13 ASP Chi-restraints excluded: chain M2 residue 4 VAL Chi-restraints excluded: chain M5 residue 3 PHE Chi-restraints excluded: chain M6 residue 14 LEU Chi-restraints excluded: chain M8 residue 14 LEU Chi-restraints excluded: chain M9 residue 3 PHE Chi-restraints excluded: chain NA residue 4 VAL Chi-restraints excluded: chain NF residue 14 LEU Chi-restraints excluded: chain NH residue 3 PHE Chi-restraints excluded: chain NI residue 4 VAL Chi-restraints excluded: chain NK residue 15 LEU Chi-restraints excluded: chain NL residue 11 PHE Chi-restraints excluded: chain NM residue 2 GLU Chi-restraints excluded: chain NM residue 4 VAL Chi-restraints excluded: chain NQ residue 4 VAL Chi-restraints excluded: chain NR residue 14 LEU Chi-restraints excluded: chain NS residue 15 LEU Chi-restraints excluded: chain NT residue 11 PHE Chi-restraints excluded: chain NU residue 4 VAL Chi-restraints excluded: chain N0 residue 15 LEU Chi-restraints excluded: chain N3 residue 14 LEU Chi-restraints excluded: chain N4 residue 15 LEU Chi-restraints excluded: chain N5 residue 13 ASP Chi-restraints excluded: chain N6 residue 4 VAL Chi-restraints excluded: chain N8 residue 15 LEU Chi-restraints excluded: chain N9 residue 3 PHE Chi-restraints excluded: chain N9 residue 11 PHE Chi-restraints excluded: chain N9 residue 21 ASN Chi-restraints excluded: chain OA residue 4 VAL Chi-restraints excluded: chain OA residue 14 LEU Chi-restraints excluded: chain OD residue 13 ASP Chi-restraints excluded: chain OF residue 14 LEU Chi-restraints excluded: chain OG residue 15 LEU Chi-restraints excluded: chain OG residue 18 PHE Chi-restraints excluded: chain OH residue 3 PHE Chi-restraints excluded: chain OI residue 4 VAL Chi-restraints excluded: chain OJ residue 14 LEU Chi-restraints excluded: chain OL residue 11 PHE Chi-restraints excluded: chain OL residue 15 LEU Chi-restraints excluded: chain OM residue 4 VAL Chi-restraints excluded: chain OQ residue 4 VAL Chi-restraints excluded: chain OT residue 15 LEU Chi-restraints excluded: chain OU residue 4 VAL Chi-restraints excluded: chain OX residue 1 MET Chi-restraints excluded: chain OY residue 4 VAL Chi-restraints excluded: chain O0 residue 13 ASP Chi-restraints excluded: chain O2 residue 4 VAL Chi-restraints excluded: chain O3 residue 14 LEU Chi-restraints excluded: chain O4 residue 1 MET Chi-restraints excluded: chain O7 residue 14 LEU Chi-restraints excluded: chain O8 residue 15 LEU Chi-restraints excluded: chain O9 residue 3 PHE Chi-restraints excluded: chain PA residue 4 VAL Chi-restraints excluded: chain PB residue 14 LEU Chi-restraints excluded: chain PD residue 22 ASN Chi-restraints excluded: chain PE residue 4 VAL Chi-restraints excluded: chain PF residue 14 LEU Chi-restraints excluded: chain PI residue 4 VAL Chi-restraints excluded: chain PJ residue 14 LEU Chi-restraints excluded: chain PL residue 11 PHE Chi-restraints excluded: chain PM residue 4 VAL Chi-restraints excluded: chain PO residue 15 LEU Chi-restraints excluded: chain PQ residue 4 VAL Chi-restraints excluded: chain PS residue 4 VAL Chi-restraints excluded: chain PS residue 19 LEU Chi-restraints excluded: chain PT residue 11 PHE Chi-restraints excluded: chain PU residue 1 MET Chi-restraints excluded: chain PU residue 13 ASP Chi-restraints excluded: chain PW residue 15 LEU Chi-restraints excluded: chain PX residue 11 PHE Chi-restraints excluded: chain PZ residue 14 LEU Chi-restraints excluded: chain P1 residue 15 LEU Chi-restraints excluded: chain P1 residue 22 ASN Chi-restraints excluded: chain P2 residue 4 VAL Chi-restraints excluded: chain QA residue 4 VAL Chi-restraints excluded: chain QB residue 14 LEU Chi-restraints excluded: chain QC residue 15 LEU Chi-restraints excluded: chain QE residue 4 VAL Chi-restraints excluded: chain QJ residue 14 LEU Chi-restraints excluded: chain QN residue 14 LEU Chi-restraints excluded: chain QP residue 15 LEU Chi-restraints excluded: chain QQ residue 4 VAL Chi-restraints excluded: chain QR residue 14 LEU Chi-restraints excluded: chain QR residue 15 LEU Chi-restraints excluded: chain QU residue 4 VAL Chi-restraints excluded: chain QV residue 14 LEU Chi-restraints excluded: chain QW residue 1 MET Chi-restraints excluded: chain QX residue 22 ASN Chi-restraints excluded: chain QY residue 4 VAL Chi-restraints excluded: chain Q2 residue 4 VAL Chi-restraints excluded: chain Q3 residue 15 LEU Chi-restraints excluded: chain Q4 residue 15 LEU Chi-restraints excluded: chain RA residue 1 MET Chi-restraints excluded: chain RA residue 4 VAL Chi-restraints excluded: chain RA residue 13 ASP Chi-restraints excluded: chain RD residue 15 LEU Chi-restraints excluded: chain RH residue 11 PHE Chi-restraints excluded: chain RI residue 4 VAL Chi-restraints excluded: chain RJ residue 14 LEU Chi-restraints excluded: chain RK residue 15 LEU Chi-restraints excluded: chain RK residue 18 PHE Chi-restraints excluded: chain RQ residue 4 VAL Chi-restraints excluded: chain RQ residue 13 ASP Chi-restraints excluded: chain RV residue 4 VAL Chi-restraints excluded: chain RW residue 1 MET Chi-restraints excluded: chain RW residue 15 LEU Chi-restraints excluded: chain RX residue 11 PHE Chi-restraints excluded: chain RY residue 4 VAL Chi-restraints excluded: chain RZ residue 14 LEU Chi-restraints excluded: chain R2 residue 4 VAL Chi-restraints excluded: chain R2 residue 14 LEU Chi-restraints excluded: chain R3 residue 14 LEU Chi-restraints excluded: chain R4 residue 13 ASP Chi-restraints excluded: chain R5 residue 11 PHE Chi-restraints excluded: chain R6 residue 4 VAL Chi-restraints excluded: chain R8 residue 13 ASP Chi-restraints excluded: chain SB residue 14 LEU Chi-restraints excluded: chain SE residue 1 MET Chi-restraints excluded: chain SE residue 4 VAL Chi-restraints excluded: chain SF residue 14 LEU Chi-restraints excluded: chain SG residue 18 PHE Chi-restraints excluded: chain SH residue 3 PHE Chi-restraints excluded: chain SI residue 13 ASP Chi-restraints excluded: chain SM residue 4 VAL Chi-restraints excluded: chain SO residue 15 LEU Chi-restraints excluded: chain SP residue 11 PHE Chi-restraints excluded: chain SS residue 19 LEU Chi-restraints excluded: chain ST residue 11 PHE Chi-restraints excluded: chain SV residue 14 LEU Chi-restraints excluded: chain SW residue 18 PHE Chi-restraints excluded: chain SY residue 4 VAL Chi-restraints excluded: chain S1 residue 3 PHE Chi-restraints excluded: chain S1 residue 22 ASN Chi-restraints excluded: chain S2 residue 4 VAL Chi-restraints excluded: chain S4 residue 15 LEU Chi-restraints excluded: chain S4 residue 18 PHE Chi-restraints excluded: chain S6 residue 18 PHE Chi-restraints excluded: chain TA residue 1 MET Chi-restraints excluded: chain TA residue 4 VAL Chi-restraints excluded: chain TA residue 13 ASP Chi-restraints excluded: chain TB residue 14 LEU Chi-restraints excluded: chain TE residue 4 VAL Chi-restraints excluded: chain TE residue 13 ASP Chi-restraints excluded: chain TH residue 11 PHE Chi-restraints excluded: chain TJ residue 11 PHE Chi-restraints excluded: chain TM residue 4 VAL Chi-restraints excluded: chain TN residue 14 LEU Chi-restraints excluded: chain TQ residue 4 VAL Chi-restraints excluded: chain TQ residue 13 ASP Chi-restraints excluded: chain TR residue 14 LEU Chi-restraints excluded: chain TT residue 3 PHE Chi-restraints excluded: chain TU residue 4 VAL Chi-restraints excluded: chain TW residue 1 MET Chi-restraints excluded: chain TX residue 11 PHE Chi-restraints excluded: chain TX residue 22 ASN Chi-restraints excluded: chain TY residue 4 VAL Chi-restraints excluded: chain TZ residue 14 LEU Chi-restraints excluded: chain T2 residue 4 VAL Chi-restraints excluded: chain T3 residue 11 PHE Chi-restraints excluded: chain T5 residue 11 PHE Chi-restraints excluded: chain T8 residue 15 LEU Chi-restraints excluded: chain T9 residue 22 ASN Chi-restraints excluded: chain UA residue 4 VAL Chi-restraints excluded: chain UB residue 11 PHE Chi-restraints excluded: chain UD residue 22 ASN Chi-restraints excluded: chain UE residue 4 VAL Chi-restraints excluded: chain UH residue 11 PHE Chi-restraints excluded: chain UI residue 4 VAL Chi-restraints excluded: chain UO residue 1 MET Chi-restraints excluded: chain UP residue 11 PHE Chi-restraints excluded: chain UP residue 22 ASN Chi-restraints excluded: chain UQ residue 4 VAL Chi-restraints excluded: chain UT residue 11 PHE Chi-restraints excluded: chain UU residue 4 VAL Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1608 random chunks: chunk 958 optimal weight: 9.9990 chunk 618 optimal weight: 5.9990 chunk 925 optimal weight: 6.9990 chunk 466 optimal weight: 5.9990 chunk 304 optimal weight: 6.9990 chunk 300 optimal weight: 3.9990 chunk 985 optimal weight: 10.0000 chunk 1055 optimal weight: 0.7980 chunk 766 optimal weight: 9.9990 chunk 144 optimal weight: 5.9990 chunk 1218 optimal weight: 9.9990 overall best weight: 4.5588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** E 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CD 22 ASN CL 22 ASN ** CO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1 22 ASN ** C8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ET 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FP 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** HP 22 ASN ** HS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** HX 22 ASN ** H4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ID 22 ASN ** IG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KP 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ML 22 ASN ** MS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q9 22 ASN ** RD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UD 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8534 moved from start: 0.4207 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.041 146328 Z= 0.245 Angle : 0.775 18.105 191955 Z= 0.345 Chirality : 0.036 0.168 19497 Planarity : 0.002 0.017 22914 Dihedral : 3.764 22.031 16281 Min Nonbonded Distance : 2.067 Molprobity Statistics. All-atom Clashscore : 10.51 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.84 % Favored : 97.16 % Rotamer: Outliers : 4.47 % Allowed : 32.51 % Favored : 63.02 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.65 (0.07), residues: 15477 helix: 0.74 (0.04), residues: 14673 sheet: None (None), residues: 0 loop : -3.82 (0.05), residues: 804 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.035 0.002 PHEJZ 11 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5983 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 656 poor density : 5327 time to evaluate : 13.387 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 6 LYS cc_start: 0.9040 (ttmm) cc_final: 0.8062 (tmtt) REVERT: A 9 LYS cc_start: 0.9297 (tptm) cc_final: 0.8583 (tptp) REVERT: A 13 ASP cc_start: 0.8765 (m-30) cc_final: 0.7958 (m-30) REVERT: A 17 LYS cc_start: 0.9320 (mtpp) cc_final: 0.8805 (pptt) REVERT: B 6 LYS cc_start: 0.9024 (ptmt) cc_final: 0.8673 (pttp) REVERT: B 17 LYS cc_start: 0.8667 (ttmm) cc_final: 0.7674 (tmtt) REVERT: C 2 GLU cc_start: 0.7553 (OUTLIER) cc_final: 0.6499 (tm-30) REVERT: D 1 MET cc_start: 0.7095 (ptt) cc_final: 0.4316 (mmt) REVERT: E 6 LYS cc_start: 0.8999 (ttmm) cc_final: 0.8146 (tmtt) REVERT: E 9 LYS cc_start: 0.9097 (tptt) cc_final: 0.8541 (tptp) REVERT: E 13 ASP cc_start: 0.8831 (m-30) cc_final: 0.7531 (m-30) REVERT: E 17 LYS cc_start: 0.9328 (mtpp) cc_final: 0.8638 (pttt) REVERT: F 6 LYS cc_start: 0.8842 (ptmt) cc_final: 0.8385 (pptt) REVERT: F 15 LEU cc_start: 0.8792 (OUTLIER) cc_final: 0.8489 (tp) REVERT: G 1 MET cc_start: 0.8011 (tmm) cc_final: 0.7466 (tmm) REVERT: H 1 MET cc_start: 0.7000 (ptt) cc_final: 0.4665 (mmt) REVERT: I 6 LYS cc_start: 0.9002 (ttmm) cc_final: 0.8241 (tmtt) REVERT: I 9 LYS cc_start: 0.9188 (tptt) cc_final: 0.8823 (tptp) REVERT: I 13 ASP cc_start: 0.8848 (m-30) cc_final: 0.8309 (m-30) REVERT: I 17 LYS cc_start: 0.9262 (mtpp) cc_final: 0.8714 (pttt) REVERT: J 1 MET cc_start: 0.7500 (mtm) cc_final: 0.7237 (mtm) REVERT: J 6 LYS cc_start: 0.8731 (ptmt) cc_final: 0.8348 (pttp) REVERT: J 13 ASP cc_start: 0.8789 (t0) cc_final: 0.8560 (t0) REVERT: J 17 LYS cc_start: 0.8863 (ttmm) cc_final: 0.7809 (tmtt) REVERT: K 17 LYS cc_start: 0.9006 (mttt) cc_final: 0.8126 (tttt) REVERT: L 9 LYS cc_start: 0.9193 (tppt) cc_final: 0.8949 (ttmm) REVERT: M 1 MET cc_start: 0.7691 (pmm) cc_final: 0.7340 (pmm) REVERT: M 6 LYS cc_start: 0.9033 (ttmm) cc_final: 0.8121 (tmtt) REVERT: M 17 LYS cc_start: 0.9258 (mtpp) cc_final: 0.8806 (pttt) REVERT: M 18 PHE cc_start: 0.8600 (OUTLIER) cc_final: 0.7780 (t80) REVERT: N 6 LYS cc_start: 0.9062 (ptmt) cc_final: 0.8546 (pttp) REVERT: N 12 LYS cc_start: 0.9302 (tmmt) cc_final: 0.8950 (tmmt) REVERT: O 17 LYS cc_start: 0.9141 (mttt) cc_final: 0.8233 (tmtt) REVERT: Q 6 LYS cc_start: 0.9028 (ttmm) cc_final: 0.7963 (tmtt) REVERT: Q 9 LYS cc_start: 0.9206 (tptt) cc_final: 0.8926 (tptm) REVERT: Q 13 ASP cc_start: 0.8730 (m-30) cc_final: 0.7867 (m-30) REVERT: Q 17 LYS cc_start: 0.9192 (mtpp) cc_final: 0.8701 (pttt) REVERT: R 6 LYS cc_start: 0.8982 (ptmt) cc_final: 0.8597 (pttp) REVERT: T 12 LYS cc_start: 0.9246 (tttm) cc_final: 0.8949 (tppt) REVERT: U 1 MET cc_start: 0.7893 (pmm) cc_final: 0.7276 (pmm) REVERT: U 6 LYS cc_start: 0.8971 (ttmm) cc_final: 0.8020 (tmtt) REVERT: U 9 LYS cc_start: 0.9260 (tptm) cc_final: 0.8817 (tptt) REVERT: U 17 LYS cc_start: 0.9237 (mtpp) cc_final: 0.8707 (pttt) REVERT: V 6 LYS cc_start: 0.8939 (ptmt) cc_final: 0.8586 (pttp) REVERT: W 1 MET cc_start: 0.7359 (tmm) cc_final: 0.6889 (tmm) REVERT: W 17 LYS cc_start: 0.8898 (mttt) cc_final: 0.8090 (tmtt) REVERT: X 1 MET cc_start: 0.7344 (ptp) cc_final: 0.5198 (mmt) REVERT: X 17 LYS cc_start: 0.5586 (OUTLIER) cc_final: 0.5178 (tttt) REVERT: Y 6 LYS cc_start: 0.8973 (ttmm) cc_final: 0.8327 (tmtt) REVERT: Y 9 LYS cc_start: 0.9153 (tptt) cc_final: 0.8593 (tptp) REVERT: Y 13 ASP cc_start: 0.8868 (m-30) cc_final: 0.7559 (m-30) REVERT: Y 17 LYS cc_start: 0.9308 (mtpp) cc_final: 0.8601 (pttt) REVERT: Y 19 LEU cc_start: 0.8613 (OUTLIER) cc_final: 0.8300 (tt) REVERT: Z 1 MET cc_start: 0.7682 (mtm) cc_final: 0.7254 (mtm) REVERT: Z 6 LYS cc_start: 0.8707 (ptmt) cc_final: 0.8076 (pptt) REVERT: 0 17 LYS cc_start: 0.8896 (mttt) cc_final: 0.7980 (tmtt) REVERT: 1 12 LYS cc_start: 0.9278 (tttm) cc_final: 0.8873 (tptp) REVERT: 2 6 LYS cc_start: 0.9021 (ttmm) cc_final: 0.7999 (tmtt) REVERT: 2 9 LYS cc_start: 0.9024 (tptp) cc_final: 0.8813 (tptp) REVERT: 2 13 ASP cc_start: 0.8620 (m-30) cc_final: 0.8192 (m-30) REVERT: 2 17 LYS cc_start: 0.9217 (mtpp) cc_final: 0.8714 (pttt) REVERT: 3 6 LYS cc_start: 0.8895 (ptmt) cc_final: 0.8282 (tmtt) REVERT: 5 1 MET cc_start: 0.6589 (ptt) cc_final: 0.4379 (mmt) REVERT: 6 1 MET cc_start: 0.7652 (pmm) cc_final: 0.7170 (pmm) REVERT: 6 6 LYS cc_start: 0.8886 (ttmm) cc_final: 0.8162 (tmtt) REVERT: 6 17 LYS cc_start: 0.9282 (mtpp) cc_final: 0.8896 (pttt) REVERT: 6 19 LEU cc_start: 0.8317 (OUTLIER) cc_final: 0.8076 (tt) REVERT: 7 1 MET cc_start: 0.7207 (mtm) cc_final: 0.6862 (mtm) REVERT: 7 6 LYS cc_start: 0.8863 (ptmt) cc_final: 0.8481 (pttp) REVERT: 8 17 LYS cc_start: 0.9078 (mttt) cc_final: 0.8225 (tmtt) REVERT: a 6 LYS cc_start: 0.8988 (ttmm) cc_final: 0.8083 (tmtt) REVERT: a 9 LYS cc_start: 0.9267 (tptm) cc_final: 0.8719 (tptp) REVERT: a 13 ASP cc_start: 0.8728 (m-30) cc_final: 0.8148 (m-30) REVERT: a 17 LYS cc_start: 0.9221 (mtpp) cc_final: 0.8732 (pptt) REVERT: b 6 LYS cc_start: 0.8635 (ptmt) cc_final: 0.8198 (ptmm) REVERT: c 1 MET cc_start: 0.7822 (tmm) cc_final: 0.5576 (mpp) REVERT: c 17 LYS cc_start: 0.9182 (mttt) cc_final: 0.8040 (tmtt) REVERT: d 1 MET cc_start: 0.7647 (ptp) cc_final: 0.5588 (mmt) REVERT: e 6 LYS cc_start: 0.8904 (ttmm) cc_final: 0.8039 (tmtt) REVERT: e 17 LYS cc_start: 0.9331 (mtpp) cc_final: 0.8786 (pttt) REVERT: f 6 LYS cc_start: 0.8614 (ptmt) cc_final: 0.8252 (pttp) REVERT: h 1 MET cc_start: 0.6519 (ptt) cc_final: 0.5085 (mmt) REVERT: h 12 LYS cc_start: 0.9224 (ttpt) cc_final: 0.8700 (tppt) REVERT: i 6 LYS cc_start: 0.8970 (ttmm) cc_final: 0.8180 (tmtt) REVERT: i 9 LYS cc_start: 0.9224 (tptm) cc_final: 0.8792 (tptt) REVERT: i 17 LYS cc_start: 0.9340 (mtpp) cc_final: 0.8704 (pttt) REVERT: j 6 LYS cc_start: 0.8963 (ptmt) cc_final: 0.8390 (pptt) REVERT: j 12 LYS cc_start: 0.9274 (tmmt) cc_final: 0.8989 (tmmt) REVERT: j 17 LYS cc_start: 0.8929 (ttmm) cc_final: 0.7923 (tmtt) REVERT: k 2 GLU cc_start: 0.7438 (OUTLIER) cc_final: 0.6389 (tm-30) REVERT: k 17 LYS cc_start: 0.9012 (mttt) cc_final: 0.8246 (tmtt) REVERT: l 12 LYS cc_start: 0.9255 (ttpt) cc_final: 0.8785 (tppt) REVERT: m 6 LYS cc_start: 0.8986 (ttmm) cc_final: 0.8099 (tmtt) REVERT: m 9 LYS cc_start: 0.9325 (tptt) cc_final: 0.8773 (tptt) REVERT: m 13 ASP cc_start: 0.8768 (m-30) cc_final: 0.7480 (m-30) REVERT: m 17 LYS cc_start: 0.9241 (mtpp) cc_final: 0.8783 (pttt) REVERT: n 1 MET cc_start: 0.7371 (mtm) cc_final: 0.7157 (mtp) REVERT: n 6 LYS cc_start: 0.8884 (ptmt) cc_final: 0.8253 (tmtt) REVERT: n 17 LYS cc_start: 0.9002 (ttmm) cc_final: 0.8078 (tmtt) REVERT: p 1 MET cc_start: 0.7875 (ptm) cc_final: 0.7470 (ptm) REVERT: q 9 LYS cc_start: 0.9089 (tptt) cc_final: 0.8725 (tptp) REVERT: q 13 ASP cc_start: 0.8778 (m-30) cc_final: 0.7818 (m-30) REVERT: r 6 LYS cc_start: 0.9283 (ptpt) cc_final: 0.9012 (ptpp) REVERT: r 12 LYS cc_start: 0.9396 (tmmt) cc_final: 0.9053 (tmmt) REVERT: t 1 MET cc_start: 0.7267 (ptt) cc_final: 0.7027 (ptm) REVERT: t 2 GLU cc_start: 0.8315 (pm20) cc_final: 0.8057 (pm20) REVERT: u 2 GLU cc_start: 0.9032 (tp30) cc_final: 0.8514 (tp30) REVERT: u 6 LYS cc_start: 0.9377 (mmtt) cc_final: 0.8979 (mmtp) REVERT: u 9 LYS cc_start: 0.9244 (tptm) cc_final: 0.8909 (tppp) REVERT: v 1 MET cc_start: 0.7226 (mtm) cc_final: 0.6910 (mtm) REVERT: v 6 LYS cc_start: 0.9313 (ptmt) cc_final: 0.8970 (ptpp) REVERT: v 13 ASP cc_start: 0.8816 (t0) cc_final: 0.8487 (t70) REVERT: v 21 ASN cc_start: 0.7564 (p0) cc_final: 0.7233 (p0) REVERT: w 1 MET cc_start: 0.7054 (tmm) cc_final: 0.6049 (mtm) REVERT: y 2 GLU cc_start: 0.8903 (tp30) cc_final: 0.8581 (tp30) REVERT: y 9 LYS cc_start: 0.9176 (tptm) cc_final: 0.8806 (tptm) REVERT: y 13 ASP cc_start: 0.8711 (m-30) cc_final: 0.8222 (m-30) REVERT: z 6 LYS cc_start: 0.9345 (ptmt) cc_final: 0.9039 (ptpp) REVERT: z 15 LEU cc_start: 0.8906 (OUTLIER) cc_final: 0.8678 (tt) REVERT: AC 9 LYS cc_start: 0.9247 (tptm) cc_final: 0.8937 (tptm) REVERT: AC 13 ASP cc_start: 0.8806 (OUTLIER) cc_final: 0.8513 (m-30) REVERT: AG 1 MET cc_start: 0.7314 (pmm) cc_final: 0.6855 (pmm) REVERT: AG 9 LYS cc_start: 0.9272 (tptm) cc_final: 0.8927 (tppt) REVERT: AH 6 LYS cc_start: 0.9358 (ptmt) cc_final: 0.8960 (ptpp) REVERT: AI 1 MET cc_start: 0.7497 (tmm) cc_final: 0.7103 (tmm) REVERT: AJ 2 GLU cc_start: 0.8487 (pm20) cc_final: 0.8222 (pm20) REVERT: AJ 13 ASP cc_start: 0.8967 (t0) cc_final: 0.8411 (t0) REVERT: AK 1 MET cc_start: 0.7552 (pmm) cc_final: 0.6102 (pmm) REVERT: AK 2 GLU cc_start: 0.8953 (tp30) cc_final: 0.8553 (tp30) REVERT: AK 6 LYS cc_start: 0.9365 (mmtt) cc_final: 0.9115 (mmtt) REVERT: AK 13 ASP cc_start: 0.8722 (m-30) cc_final: 0.8175 (m-30) REVERT: AN 1 MET cc_start: 0.7710 (ptm) cc_final: 0.7443 (ptm) REVERT: AO 1 MET cc_start: 0.7426 (pmm) cc_final: 0.7220 (pmm) REVERT: AO 9 LYS cc_start: 0.9411 (tppt) cc_final: 0.9048 (tppt) REVERT: AO 13 ASP cc_start: 0.9000 (m-30) cc_final: 0.8572 (m-30) REVERT: AO 17 LYS cc_start: 0.9068 (mtpt) cc_final: 0.8635 (mtpt) REVERT: AP 6 LYS cc_start: 0.9295 (ptpt) cc_final: 0.9023 (ptpp) REVERT: AQ 1 MET cc_start: 0.7969 (tpt) cc_final: 0.5922 (mpp) REVERT: AR 13 ASP cc_start: 0.9142 (t0) cc_final: 0.8844 (t0) REVERT: AS 2 GLU cc_start: 0.9126 (tp30) cc_final: 0.8634 (tp30) REVERT: AS 6 LYS cc_start: 0.9238 (mmmt) cc_final: 0.8892 (mmmt) REVERT: AS 9 LYS cc_start: 0.9170 (tptt) cc_final: 0.8613 (tptp) REVERT: AS 13 ASP cc_start: 0.8609 (m-30) cc_final: 0.7417 (m-30) REVERT: AT 6 LYS cc_start: 0.9289 (ptmt) cc_final: 0.9027 (ptpp) REVERT: AW 2 GLU cc_start: 0.8799 (tp30) cc_final: 0.8161 (tp30) REVERT: AW 6 LYS cc_start: 0.9341 (mttm) cc_final: 0.8933 (mttm) REVERT: AW 9 LYS cc_start: 0.9242 (tptm) cc_final: 0.8441 (tptt) REVERT: AW 13 ASP cc_start: 0.8725 (m-30) cc_final: 0.7842 (m-30) REVERT: AX 6 LYS cc_start: 0.9286 (ptmt) cc_final: 0.9039 (ptpp) REVERT: AX 15 LEU cc_start: 0.8668 (OUTLIER) cc_final: 0.8412 (tt) REVERT: AX 21 ASN cc_start: 0.7212 (OUTLIER) cc_final: 0.6769 (p0) REVERT: AY 1 MET cc_start: 0.6818 (tmm) cc_final: 0.5351 (mpp) REVERT: AZ 15 LEU cc_start: 0.9639 (tp) cc_final: 0.9348 (tp) REVERT: A0 13 ASP cc_start: 0.8640 (m-30) cc_final: 0.8116 (m-30) REVERT: A0 15 LEU cc_start: 0.8278 (OUTLIER) cc_final: 0.7907 (tt) REVERT: A0 19 LEU cc_start: 0.8190 (OUTLIER) cc_final: 0.7985 (tt) REVERT: A1 21 ASN cc_start: 0.7698 (p0) cc_final: 0.7425 (p0) REVERT: A2 1 MET cc_start: 0.7205 (tmm) cc_final: 0.5726 (mpp) REVERT: A3 2 GLU cc_start: 0.8494 (pm20) cc_final: 0.8292 (pm20) REVERT: A4 2 GLU cc_start: 0.8831 (tp30) cc_final: 0.8473 (tp30) REVERT: A4 9 LYS cc_start: 0.9126 (tptt) cc_final: 0.8590 (tptp) REVERT: A4 13 ASP cc_start: 0.8678 (m-30) cc_final: 0.7844 (m-30) REVERT: A5 6 LYS cc_start: 0.9086 (ptpt) cc_final: 0.8830 (ptpp) REVERT: A5 12 LYS cc_start: 0.9296 (tmmt) cc_final: 0.9082 (tmmt) REVERT: A8 6 LYS cc_start: 0.9182 (mmtm) cc_final: 0.8772 (mmtm) REVERT: A8 9 LYS cc_start: 0.9145 (tptt) cc_final: 0.8546 (tptm) REVERT: A8 13 ASP cc_start: 0.8867 (m-30) cc_final: 0.7791 (m-30) REVERT: A9 6 LYS cc_start: 0.9400 (ptmt) cc_final: 0.9043 (ptpp) REVERT: A9 15 LEU cc_start: 0.8801 (OUTLIER) cc_final: 0.8591 (tp) REVERT: BB 6 LYS cc_start: 0.9195 (ttmm) cc_final: 0.8843 (mtmm) REVERT: BD 12 LYS cc_start: 0.9253 (ttpt) cc_final: 0.8973 (tmmt) REVERT: BE 1 MET cc_start: 0.7551 (tmm) cc_final: 0.6391 (mpp) REVERT: BH 13 ASP cc_start: 0.8716 (t70) cc_final: 0.8429 (t0) REVERT: BJ 12 LYS cc_start: 0.9310 (ttpt) cc_final: 0.8785 (tppt) REVERT: BK 9 LYS cc_start: 0.9169 (tptm) cc_final: 0.8564 (tptt) REVERT: BK 13 ASP cc_start: 0.8611 (m-30) cc_final: 0.7330 (m-30) REVERT: BL 21 ASN cc_start: 0.7640 (p0) cc_final: 0.7359 (p0) REVERT: BM 1 MET cc_start: 0.7075 (tpp) cc_final: 0.6512 (tpp) REVERT: BO 2 GLU cc_start: 0.8984 (tp30) cc_final: 0.8595 (tp30) REVERT: BO 9 LYS cc_start: 0.9315 (tptm) cc_final: 0.8953 (tptt) REVERT: BO 13 ASP cc_start: 0.8815 (m-30) cc_final: 0.8392 (m-30) REVERT: BP 6 LYS cc_start: 0.9189 (ptpp) cc_final: 0.8906 (ptmm) REVERT: BP 13 ASP cc_start: 0.8589 (t70) cc_final: 0.8361 (t0) REVERT: BR 12 LYS cc_start: 0.9248 (ttpt) cc_final: 0.8851 (tppt) REVERT: BS 9 LYS cc_start: 0.9210 (tppp) cc_final: 0.8719 (tptm) REVERT: BS 13 ASP cc_start: 0.8687 (m-30) cc_final: 0.8235 (m-30) REVERT: BT 6 LYS cc_start: 0.9348 (ptmt) cc_final: 0.9045 (ptpp) REVERT: BW 9 LYS cc_start: 0.9151 (tptt) cc_final: 0.8754 (tptt) REVERT: BX 6 LYS cc_start: 0.9318 (ptpt) cc_final: 0.9113 (ptpp) REVERT: BX 9 LYS cc_start: 0.9381 (OUTLIER) cc_final: 0.9110 (ttpt) REVERT: BX 12 LYS cc_start: 0.9335 (tmmt) cc_final: 0.9094 (tmmt) REVERT: BZ 12 LYS cc_start: 0.9120 (tptm) cc_final: 0.8503 (tptp) REVERT: B0 1 MET cc_start: 0.7290 (ptp) cc_final: 0.6700 (ptp) REVERT: B0 2 GLU cc_start: 0.8910 (tp30) cc_final: 0.8591 (tp30) REVERT: B0 6 LYS cc_start: 0.9210 (mttm) cc_final: 0.8982 (mtpp) REVERT: B0 9 LYS cc_start: 0.9253 (tptt) cc_final: 0.8658 (tptp) REVERT: B0 13 ASP cc_start: 0.8707 (m-30) cc_final: 0.7941 (m-30) REVERT: B0 17 LYS cc_start: 0.9052 (mtpp) cc_final: 0.8627 (mtpt) REVERT: B1 1 MET cc_start: 0.6834 (mtm) cc_final: 0.6490 (mmm) REVERT: B1 21 ASN cc_start: 0.7414 (p0) cc_final: 0.7125 (p0) REVERT: B2 1 MET cc_start: 0.7493 (tmm) cc_final: 0.6937 (tmm) REVERT: B3 11 PHE cc_start: 0.9142 (m-10) cc_final: 0.8781 (m-80) REVERT: B4 13 ASP cc_start: 0.8695 (m-30) cc_final: 0.8403 (m-30) REVERT: B8 9 LYS cc_start: 0.9188 (tptm) cc_final: 0.8655 (tptt) REVERT: B9 17 LYS cc_start: 0.8995 (ttmm) cc_final: 0.8735 (mmmm) REVERT: B9 18 PHE cc_start: 0.8544 (t80) cc_final: 0.8209 (t80) REVERT: CA 1 MET cc_start: 0.7177 (tmm) cc_final: 0.6783 (tmm) REVERT: CB 6 LYS cc_start: 0.9184 (ttmm) cc_final: 0.8909 (mtmm) REVERT: CC 2 GLU cc_start: 0.8884 (tp30) cc_final: 0.8521 (tp30) REVERT: CC 9 LYS cc_start: 0.9233 (tptm) cc_final: 0.8958 (tptm) REVERT: CC 13 ASP cc_start: 0.8624 (m-30) cc_final: 0.8228 (m-30) REVERT: CC 19 LEU cc_start: 0.8244 (OUTLIER) cc_final: 0.7960 (tt) REVERT: CD 6 LYS cc_start: 0.9273 (ptmt) cc_final: 0.9006 (ptpp) REVERT: CG 2 GLU cc_start: 0.8790 (tp30) cc_final: 0.8042 (tp30) REVERT: CG 6 LYS cc_start: 0.9367 (mmtt) cc_final: 0.8999 (mmtt) REVERT: CG 9 LYS cc_start: 0.9142 (tptt) cc_final: 0.8731 (tptm) REVERT: CG 13 ASP cc_start: 0.8732 (m-30) cc_final: 0.8068 (m-30) REVERT: CH 1 MET cc_start: 0.6988 (mtm) cc_final: 0.6743 (mtm) REVERT: CH 12 LYS cc_start: 0.9317 (tmmt) cc_final: 0.9024 (tmmt) REVERT: CK 9 LYS cc_start: 0.9265 (tptm) cc_final: 0.8564 (tptm) REVERT: CK 13 ASP cc_start: 0.8654 (m-30) cc_final: 0.7964 (m-30) REVERT: CL 1 MET cc_start: 0.6999 (mtm) cc_final: 0.6517 (mtm) REVERT: CL 12 LYS cc_start: 0.9355 (tmmt) cc_final: 0.9068 (tmmt) REVERT: CO 9 LYS cc_start: 0.9213 (tptt) cc_final: 0.8832 (tptp) REVERT: CO 13 ASP cc_start: 0.8745 (m-30) cc_final: 0.7950 (m-30) REVERT: CP 6 LYS cc_start: 0.9214 (ptpt) cc_final: 0.8924 (ptpp) REVERT: CP 13 ASP cc_start: 0.8848 (t0) cc_final: 0.8527 (t0) REVERT: CR 12 LYS cc_start: 0.9313 (tttt) cc_final: 0.8860 (tppt) REVERT: CS 2 GLU cc_start: 0.8837 (tp30) cc_final: 0.8136 (tp30) REVERT: CS 6 LYS cc_start: 0.9374 (mmtm) cc_final: 0.8885 (mmtt) REVERT: CS 9 LYS cc_start: 0.9324 (tptt) cc_final: 0.9108 (tptm) REVERT: CT 21 ASN cc_start: 0.7701 (p0) cc_final: 0.7436 (p0) REVERT: CW 1 MET cc_start: 0.8046 (pmm) cc_final: 0.7748 (pmm) REVERT: CW 9 LYS cc_start: 0.9146 (tptm) cc_final: 0.8607 (tptt) REVERT: CX 6 LYS cc_start: 0.9312 (ptmt) cc_final: 0.8964 (ptpp) REVERT: CX 12 LYS cc_start: 0.9203 (tmmt) cc_final: 0.8996 (tmmt) REVERT: CX 21 ASN cc_start: 0.6752 (p0) cc_final: 0.6522 (p0) REVERT: C0 1 MET cc_start: 0.8034 (pmm) cc_final: 0.7573 (pmm) REVERT: C0 2 GLU cc_start: 0.8921 (tp30) cc_final: 0.8335 (tp30) REVERT: C0 6 LYS cc_start: 0.9323 (mttm) cc_final: 0.9019 (mttm) REVERT: C2 1 MET cc_start: 0.8289 (tmm) cc_final: 0.6184 (mpp) REVERT: C4 9 LYS cc_start: 0.9280 (tptm) cc_final: 0.8829 (tptt) REVERT: C5 6 LYS cc_start: 0.9292 (ptpt) cc_final: 0.8810 (ptpp) REVERT: C7 11 PHE cc_start: 0.9235 (m-10) cc_final: 0.8944 (m-80) REVERT: C8 1 MET cc_start: 0.7075 (ptp) cc_final: 0.6487 (ptp) REVERT: C8 9 LYS cc_start: 0.9111 (tptm) cc_final: 0.8699 (tptt) REVERT: C8 13 ASP cc_start: 0.8767 (m-30) cc_final: 0.8279 (m-30) REVERT: C9 12 LYS cc_start: 0.9211 (tmmt) cc_final: 0.8953 (tmmt) REVERT: C9 21 ASN cc_start: 0.7415 (p0) cc_final: 0.6890 (p0) REVERT: DC 9 LYS cc_start: 0.9188 (tptt) cc_final: 0.8762 (tptp) REVERT: DC 13 ASP cc_start: 0.8777 (m-30) cc_final: 0.8169 (m-30) REVERT: DD 6 LYS cc_start: 0.9327 (ptmt) cc_final: 0.9036 (ptpp) REVERT: DE 1 MET cc_start: 0.7057 (tmm) cc_final: 0.6771 (tmm) REVERT: DF 15 LEU cc_start: 0.9639 (tp) cc_final: 0.9235 (tp) REVERT: DG 9 LYS cc_start: 0.9204 (tptt) cc_final: 0.8854 (tptt) REVERT: DK 2 GLU cc_start: 0.8995 (tp30) cc_final: 0.8672 (tp30) REVERT: DK 9 LYS cc_start: 0.9428 (tptm) cc_final: 0.9028 (tppt) REVERT: DK 13 ASP cc_start: 0.8746 (m-30) cc_final: 0.8508 (m-30) REVERT: DL 1 MET cc_start: 0.7204 (mtm) cc_final: 0.6711 (mtm) REVERT: DN 1 MET cc_start: 0.7382 (ptt) cc_final: 0.6879 (ptm) REVERT: DN 2 GLU cc_start: 0.8478 (pm20) cc_final: 0.8276 (pm20) REVERT: DO 9 LYS cc_start: 0.9212 (tptm) cc_final: 0.8686 (tptm) REVERT: DO 13 ASP cc_start: 0.8581 (m-30) cc_final: 0.7622 (m-30) REVERT: DP 6 LYS cc_start: 0.9412 (ptmt) cc_final: 0.9103 (ptpp) REVERT: DP 12 LYS cc_start: 0.9282 (tmmt) cc_final: 0.8896 (tmmt) REVERT: DP 13 ASP cc_start: 0.8686 (t0) cc_final: 0.8362 (t0) REVERT: DQ 1 MET cc_start: 0.7325 (ttp) cc_final: 0.6705 (tmm) REVERT: DR 12 LYS cc_start: 0.9295 (ttpt) cc_final: 0.8766 (tptp) REVERT: DS 2 GLU cc_start: 0.8784 (tp30) cc_final: 0.8241 (tp30) REVERT: DS 6 LYS cc_start: 0.9159 (mttm) cc_final: 0.8760 (mmtp) REVERT: DS 9 LYS cc_start: 0.9033 (tptt) cc_final: 0.8349 (tptp) REVERT: DS 13 ASP cc_start: 0.8643 (m-30) cc_final: 0.7416 (m-30) REVERT: DT 6 LYS cc_start: 0.9187 (ptmt) cc_final: 0.8833 (pttt) REVERT: DU 1 MET cc_start: 0.8126 (tpt) cc_final: 0.7824 (tpt) REVERT: DV 2 GLU cc_start: 0.8232 (pm20) cc_final: 0.7937 (pm20) REVERT: DW 9 LYS cc_start: 0.9107 (tptm) cc_final: 0.8665 (tptp) REVERT: DX 6 LYS cc_start: 0.9231 (ptpt) cc_final: 0.8869 (ptpp) REVERT: DX 13 ASP cc_start: 0.8801 (t0) cc_final: 0.8402 (t0) REVERT: DX 21 ASN cc_start: 0.7902 (p0) cc_final: 0.7565 (p0) REVERT: DY 1 MET cc_start: 0.6839 (tmm) cc_final: 0.5278 (mpp) REVERT: D0 2 GLU cc_start: 0.8758 (tp30) cc_final: 0.8236 (tp30) REVERT: D0 6 LYS cc_start: 0.9189 (mttm) cc_final: 0.8722 (mmtp) REVERT: D0 9 LYS cc_start: 0.9253 (tptm) cc_final: 0.8883 (tptt) REVERT: D0 18 PHE cc_start: 0.8765 (OUTLIER) cc_final: 0.8293 (t80) REVERT: D2 9 LYS cc_start: 0.9356 (tppt) cc_final: 0.8956 (tppt) REVERT: D2 13 ASP cc_start: 0.8347 (OUTLIER) cc_final: 0.8108 (p0) REVERT: D4 9 LYS cc_start: 0.9275 (tptt) cc_final: 0.9025 (tptm) REVERT: D4 13 ASP cc_start: 0.8695 (m-30) cc_final: 0.8181 (m-30) REVERT: D5 1 MET cc_start: 0.7261 (mtm) cc_final: 0.6807 (mtm) REVERT: D5 21 ASN cc_start: 0.7529 (OUTLIER) cc_final: 0.7095 (p0) REVERT: D6 1 MET cc_start: 0.7273 (tmm) cc_final: 0.6300 (mtt) REVERT: D7 13 ASP cc_start: 0.8987 (t0) cc_final: 0.8558 (t0) REVERT: D8 9 LYS cc_start: 0.9220 (tptm) cc_final: 0.8940 (tptm) REVERT: D9 6 LYS cc_start: 0.9218 (ptpt) cc_final: 0.8934 (ptmm) REVERT: EC 2 GLU cc_start: 0.8873 (tp30) cc_final: 0.8577 (tp30) REVERT: EC 9 LYS cc_start: 0.9285 (tptm) cc_final: 0.8674 (tptt) REVERT: EC 13 ASP cc_start: 0.8899 (m-30) cc_final: 0.8099 (m-30) REVERT: EE 1 MET cc_start: 0.7012 (tmm) cc_final: 0.6241 (mpp) REVERT: EG 9 LYS cc_start: 0.9328 (tptt) cc_final: 0.8772 (tptm) REVERT: EG 13 ASP cc_start: 0.8745 (m-30) cc_final: 0.7892 (m-30) REVERT: EG 17 LYS cc_start: 0.8916 (mtpt) cc_final: 0.8365 (mtpp) REVERT: EH 6 LYS cc_start: 0.9236 (ptmt) cc_final: 0.8968 (ptpp) REVERT: EI 1 MET cc_start: 0.6856 (ttp) cc_final: 0.5983 (mpp) REVERT: EK 6 LYS cc_start: 0.9366 (mmtt) cc_final: 0.9135 (mmtm) REVERT: EK 9 LYS cc_start: 0.9094 (tptm) cc_final: 0.8793 (tptt) REVERT: EK 13 ASP cc_start: 0.8561 (m-30) cc_final: 0.7663 (m-30) REVERT: EK 17 LYS cc_start: 0.9205 (mtpt) cc_final: 0.8958 (mtpm) REVERT: EL 12 LYS cc_start: 0.9310 (ttpt) cc_final: 0.9079 (tmmt) REVERT: EM 1 MET cc_start: 0.7457 (tmm) cc_final: 0.6510 (mpp) REVERT: EN 2 GLU cc_start: 0.8516 (pm20) cc_final: 0.8215 (pm20) REVERT: EN 12 LYS cc_start: 0.9229 (ttpt) cc_final: 0.8716 (tptp) REVERT: EO 9 LYS cc_start: 0.9209 (tptm) cc_final: 0.8874 (tptt) REVERT: EP 6 LYS cc_start: 0.9245 (ptmt) cc_final: 0.8926 (ptpp) REVERT: EQ 13 ASP cc_start: 0.8994 (t70) cc_final: 0.8765 (t0) REVERT: ET 6 LYS cc_start: 0.9257 (ptmm) cc_final: 0.8977 (ptpp) REVERT: EU 1 MET cc_start: 0.7365 (tpp) cc_final: 0.6972 (tpp) REVERT: EV 12 LYS cc_start: 0.9285 (tttm) cc_final: 0.8721 (tptp) REVERT: EW 9 LYS cc_start: 0.9235 (tptm) cc_final: 0.9012 (tptm) REVERT: EX 13 ASP cc_start: 0.8810 (t0) cc_final: 0.8458 (t0) REVERT: EY 9 LYS cc_start: 0.9230 (tppt) cc_final: 0.9018 (tppt) REVERT: EY 13 ASP cc_start: 0.8567 (OUTLIER) cc_final: 0.8244 (p0) REVERT: EZ 2 GLU cc_start: 0.8599 (pm20) cc_final: 0.8354 (pm20) REVERT: EZ 12 LYS cc_start: 0.9289 (tttt) cc_final: 0.8753 (tptp) REVERT: E0 9 LYS cc_start: 0.9209 (tptm) cc_final: 0.8975 (tptm) REVERT: E1 6 LYS cc_start: 0.9350 (ptmt) cc_final: 0.8906 (ptmt) REVERT: E4 2 GLU cc_start: 0.8801 (tp30) cc_final: 0.8205 (tp30) REVERT: E4 9 LYS cc_start: 0.9200 (tptm) cc_final: 0.8902 (tptm) REVERT: E4 13 ASP cc_start: 0.8650 (m-30) cc_final: 0.8306 (m-30) REVERT: E5 1 MET cc_start: 0.7046 (mtm) cc_final: 0.6807 (mtm) REVERT: E7 13 ASP cc_start: 0.8955 (t0) cc_final: 0.8686 (t0) REVERT: E8 9 LYS cc_start: 0.9214 (tptt) cc_final: 0.8873 (tptm) REVERT: E8 13 ASP cc_start: 0.8497 (m-30) cc_final: 0.7847 (m-30) REVERT: FC 2 GLU cc_start: 0.8827 (tp30) cc_final: 0.8614 (tp30) REVERT: FC 9 LYS cc_start: 0.9096 (tptt) cc_final: 0.8363 (tptp) REVERT: FC 13 ASP cc_start: 0.8467 (m-30) cc_final: 0.6874 (m-30) REVERT: FC 19 LEU cc_start: 0.8108 (OUTLIER) cc_final: 0.7892 (tt) REVERT: FD 6 LYS cc_start: 0.9256 (ptmt) cc_final: 0.8933 (ptpp) REVERT: FF 1 MET cc_start: 0.7009 (ptt) cc_final: 0.6428 (ptm) REVERT: FF 12 LYS cc_start: 0.9209 (tttt) cc_final: 0.8749 (tptp) REVERT: FG 9 LYS cc_start: 0.9208 (tptm) cc_final: 0.8987 (tptm) REVERT: FG 13 ASP cc_start: 0.8782 (m-30) cc_final: 0.8545 (m-30) REVERT: FH 6 LYS cc_start: 0.9339 (ptmt) cc_final: 0.8970 (ptpp) REVERT: FH 12 LYS cc_start: 0.9185 (tmmt) cc_final: 0.8964 (tmmt) REVERT: FI 1 MET cc_start: 0.6593 (tmm) cc_final: 0.6141 (tmm) REVERT: FL 6 LYS cc_start: 0.9360 (ptmt) cc_final: 0.9008 (ptpp) REVERT: FO 2 GLU cc_start: 0.8868 (tp30) cc_final: 0.8423 (tp30) REVERT: FO 6 LYS cc_start: 0.9197 (mttm) cc_final: 0.8813 (mttm) REVERT: FO 9 LYS cc_start: 0.9262 (tptt) cc_final: 0.8723 (tptp) REVERT: FO 13 ASP cc_start: 0.8658 (m-30) cc_final: 0.7766 (m-30) REVERT: FQ 1 MET cc_start: 0.7078 (ttm) cc_final: 0.6713 (ttt) REVERT: FS 9 LYS cc_start: 0.9150 (tptt) cc_final: 0.8586 (tptm) REVERT: FS 13 ASP cc_start: 0.8765 (m-30) cc_final: 0.7709 (m-30) REVERT: FT 6 LYS cc_start: 0.9355 (ptmt) cc_final: 0.9108 (ptpp) REVERT: FT 12 LYS cc_start: 0.9310 (tmmt) cc_final: 0.8947 (tmmt) REVERT: FU 2 GLU cc_start: 0.7229 (tm-30) cc_final: 0.6953 (tm-30) REVERT: FW 1 MET cc_start: 0.7709 (pmm) cc_final: 0.7213 (pmm) REVERT: FW 2 GLU cc_start: 0.8806 (tp30) cc_final: 0.8175 (tp30) REVERT: FW 6 LYS cc_start: 0.9363 (mmtt) cc_final: 0.8935 (mmtt) REVERT: FW 18 PHE cc_start: 0.8711 (OUTLIER) cc_final: 0.8214 (t80) REVERT: FX 21 ASN cc_start: 0.7200 (p0) cc_final: 0.6857 (p0) REVERT: FZ 2 GLU cc_start: 0.8359 (pm20) cc_final: 0.8017 (pm20) REVERT: F0 2 GLU cc_start: 0.8891 (tp30) cc_final: 0.8613 (tp30) REVERT: F0 6 LYS cc_start: 0.9435 (mmtt) cc_final: 0.9144 (mmtt) REVERT: F0 9 LYS cc_start: 0.9149 (tptt) cc_final: 0.8688 (tptm) REVERT: F0 13 ASP cc_start: 0.8761 (m-30) cc_final: 0.7812 (m-30) REVERT: F0 18 PHE cc_start: 0.8822 (OUTLIER) cc_final: 0.8555 (t80) REVERT: F2 1 MET cc_start: 0.6242 (ttt) cc_final: 0.5838 (ttt) REVERT: F3 12 LYS cc_start: 0.9240 (tttt) cc_final: 0.8750 (tppt) REVERT: F4 9 LYS cc_start: 0.9139 (tptt) cc_final: 0.8695 (tptm) REVERT: F4 13 ASP cc_start: 0.8590 (m-30) cc_final: 0.7648 (m-30) REVERT: F5 6 LYS cc_start: 0.9322 (ptpt) cc_final: 0.8983 (ptmm) REVERT: F8 6 LYS cc_start: 0.9260 (mmtp) cc_final: 0.8856 (mttp) REVERT: F8 9 LYS cc_start: 0.9255 (tptm) cc_final: 0.8764 (tptt) REVERT: F8 13 ASP cc_start: 0.8874 (m-30) cc_final: 0.8314 (m-30) REVERT: F9 6 LYS cc_start: 0.9360 (ptmt) cc_final: 0.8882 (ptpp) REVERT: GB 12 LYS cc_start: 0.9292 (tttt) cc_final: 0.8835 (tppt) REVERT: GC 9 LYS cc_start: 0.9168 (tptm) cc_final: 0.8863 (tptm) REVERT: GC 13 ASP cc_start: 0.8777 (m-30) cc_final: 0.8371 (m-30) REVERT: GD 6 LYS cc_start: 0.9318 (ptmt) cc_final: 0.9019 (ptpp) REVERT: GG 2 GLU cc_start: 0.8711 (tp30) cc_final: 0.8218 (tp30) REVERT: GG 6 LYS cc_start: 0.9179 (mmtt) cc_final: 0.8878 (mmtt) REVERT: GG 13 ASP cc_start: 0.8826 (m-30) cc_final: 0.8611 (m-30) REVERT: GH 12 LYS cc_start: 0.9276 (tmmt) cc_final: 0.9012 (tmmt) REVERT: GH 21 ASN cc_start: 0.7683 (OUTLIER) cc_final: 0.7412 (p0) REVERT: GI 1 MET cc_start: 0.5742 (ttt) cc_final: 0.5043 (ttt) REVERT: GJ 15 LEU cc_start: 0.9673 (tp) cc_final: 0.9456 (tp) REVERT: GK 13 ASP cc_start: 0.8698 (m-30) cc_final: 0.8489 (m-30) REVERT: GL 6 LYS cc_start: 0.9239 (ptmt) cc_final: 0.8940 (ptpp) REVERT: GL 11 PHE cc_start: 0.8450 (m-80) cc_final: 0.7610 (t80) REVERT: GM 1 MET cc_start: 0.6638 (ttt) cc_final: 0.5960 (ttt) REVERT: GO 13 ASP cc_start: 0.8523 (m-30) cc_final: 0.8307 (m-30) REVERT: GP 1 MET cc_start: 0.7307 (mtm) cc_final: 0.7054 (mtp) REVERT: GP 12 LYS cc_start: 0.9441 (tmmt) cc_final: 0.9175 (tmmt) REVERT: GR 2 GLU cc_start: 0.8401 (pm20) cc_final: 0.8186 (pm20) REVERT: GR 12 LYS cc_start: 0.9280 (tttm) cc_final: 0.8914 (tptp) REVERT: GS 1 MET cc_start: 0.7153 (ptp) cc_final: 0.6916 (ptp) REVERT: GS 2 GLU cc_start: 0.8597 (tp30) cc_final: 0.8366 (tp30) REVERT: GS 9 LYS cc_start: 0.9178 (tptm) cc_final: 0.8661 (tptm) REVERT: GS 13 ASP cc_start: 0.8737 (OUTLIER) cc_final: 0.8370 (m-30) REVERT: GT 1 MET cc_start: 0.7127 (mtm) cc_final: 0.6843 (mtm) REVERT: GT 12 LYS cc_start: 0.9341 (tmmt) cc_final: 0.9099 (tmmt) REVERT: GW 9 LYS cc_start: 0.9157 (tptm) cc_final: 0.8897 (tptm) REVERT: GW 13 ASP cc_start: 0.8601 (m-30) cc_final: 0.8252 (m-30) REVERT: G0 2 GLU cc_start: 0.8962 (tp30) cc_final: 0.8335 (tp30) REVERT: G0 13 ASP cc_start: 0.8854 (OUTLIER) cc_final: 0.8413 (m-30) REVERT: G1 1 MET cc_start: 0.6374 (mtm) cc_final: 0.6159 (mtm) REVERT: G1 6 LYS cc_start: 0.9378 (ptmt) cc_final: 0.9034 (ptpp) REVERT: G1 15 LEU cc_start: 0.8754 (OUTLIER) cc_final: 0.8533 (tp) REVERT: G3 12 LYS cc_start: 0.9354 (ttpt) cc_final: 0.8893 (tppt) REVERT: G4 1 MET cc_start: 0.7363 (ptp) cc_final: 0.6657 (pmm) REVERT: G4 18 PHE cc_start: 0.8704 (OUTLIER) cc_final: 0.8012 (t80) REVERT: G5 6 LYS cc_start: 0.9318 (ptmt) cc_final: 0.8943 (ptpp) REVERT: G8 9 LYS cc_start: 0.9214 (tptt) cc_final: 0.8768 (tptp) REVERT: G8 13 ASP cc_start: 0.8754 (m-30) cc_final: 0.7513 (m-30) REVERT: G9 6 LYS cc_start: 0.9252 (ptpt) cc_final: 0.8898 (ptpp) REVERT: G9 12 LYS cc_start: 0.9454 (tmmt) cc_final: 0.9229 (tmmt) REVERT: G9 18 PHE cc_start: 0.8868 (t80) cc_final: 0.8277 (t80) REVERT: G9 21 ASN cc_start: 0.7746 (OUTLIER) cc_final: 0.7439 (p0) REVERT: HC 6 LYS cc_start: 0.9418 (mmtm) cc_final: 0.9206 (mmtt) REVERT: HC 9 LYS cc_start: 0.9256 (tptt) cc_final: 0.8891 (tptm) REVERT: HD 1 MET cc_start: 0.7409 (mtm) cc_final: 0.7066 (mtm) REVERT: HE 2 GLU cc_start: 0.8521 (tp30) cc_final: 0.8315 (tp30) REVERT: HG 9 LYS cc_start: 0.9154 (tptm) cc_final: 0.8924 (tptm) REVERT: HH 11 PHE cc_start: 0.8952 (OUTLIER) cc_final: 0.8444 (m-10) REVERT: HJ 13 ASP cc_start: 0.8858 (t0) cc_final: 0.8223 (t0) REVERT: HL 1 MET cc_start: 0.6952 (mtm) cc_final: 0.6545 (mtm) REVERT: HL 13 ASP cc_start: 0.8808 (t0) cc_final: 0.8588 (t0) REVERT: HO 9 LYS cc_start: 0.9284 (tptt) cc_final: 0.8681 (tptm) REVERT: HO 13 ASP cc_start: 0.8735 (m-30) cc_final: 0.7833 (m-30) REVERT: HP 6 LYS cc_start: 0.9214 (ptpt) cc_final: 0.8804 (ptpp) REVERT: HS 2 GLU cc_start: 0.8852 (tp30) cc_final: 0.8508 (tp30) REVERT: HS 6 LYS cc_start: 0.9298 (mmtt) cc_final: 0.9051 (mmtt) REVERT: HS 9 LYS cc_start: 0.9095 (tptm) cc_final: 0.8840 (tptt) REVERT: HS 13 ASP cc_start: 0.8818 (m-30) cc_final: 0.8256 (m-30) REVERT: HT 12 LYS cc_start: 0.9326 (tmmt) cc_final: 0.9045 (tmmt) REVERT: HW 2 GLU cc_start: 0.8703 (tp30) cc_final: 0.8444 (tp30) REVERT: HW 9 LYS cc_start: 0.9224 (tptt) cc_final: 0.8890 (tptt) REVERT: HW 13 ASP cc_start: 0.8765 (m-30) cc_final: 0.8217 (m-30) REVERT: HW 15 LEU cc_start: 0.8470 (OUTLIER) cc_final: 0.8243 (tp) REVERT: HX 6 LYS cc_start: 0.9385 (ptmt) cc_final: 0.9153 (ptpp) REVERT: HX 13 ASP cc_start: 0.8757 (t0) cc_final: 0.8410 (t0) REVERT: HZ 11 PHE cc_start: 0.9135 (m-10) cc_final: 0.8904 (m-80) REVERT: H0 2 GLU cc_start: 0.8824 (tp30) cc_final: 0.8292 (tp30) REVERT: H0 6 LYS cc_start: 0.9379 (mmtt) cc_final: 0.9025 (mmtt) REVERT: H0 13 ASP cc_start: 0.8575 (m-30) cc_final: 0.8315 (m-30) REVERT: H1 12 LYS cc_start: 0.9282 (tmmt) cc_final: 0.8973 (tmmt) REVERT: H1 13 ASP cc_start: 0.8879 (t0) cc_final: 0.8615 (t0) REVERT: H4 2 GLU cc_start: 0.8900 (tp30) cc_final: 0.8546 (tp30) REVERT: H4 6 LYS cc_start: 0.9348 (mmtt) cc_final: 0.9110 (mmtt) REVERT: H4 9 LYS cc_start: 0.9201 (tptt) cc_final: 0.8491 (tptt) REVERT: H4 13 ASP cc_start: 0.8680 (m-30) cc_final: 0.7836 (m-30) REVERT: H5 6 LYS cc_start: 0.9214 (ptpt) cc_final: 0.8977 (ptpp) REVERT: H5 18 PHE cc_start: 0.8786 (t80) cc_final: 0.8578 (t80) REVERT: H5 21 ASN cc_start: 0.7337 (OUTLIER) cc_final: 0.7104 (p0) REVERT: H6 12 LYS cc_start: 0.9011 (tttp) cc_final: 0.8809 (tttm) REVERT: H7 1 MET cc_start: 0.7180 (ptt) cc_final: 0.6953 (ptt) REVERT: H7 12 LYS cc_start: 0.9026 (tptm) cc_final: 0.8576 (tppt) REVERT: H8 9 LYS cc_start: 0.9212 (tptm) cc_final: 0.8833 (tptm) REVERT: H9 6 LYS cc_start: 0.9314 (ptmt) cc_final: 0.8942 (ptmt) REVERT: H9 21 ASN cc_start: 0.7656 (OUTLIER) cc_final: 0.7361 (p0) REVERT: IA 1 MET cc_start: 0.6189 (OUTLIER) cc_final: 0.5680 (ttt) REVERT: IC 9 LYS cc_start: 0.9120 (tptt) cc_final: 0.8623 (tptp) REVERT: IC 13 ASP cc_start: 0.8577 (m-30) cc_final: 0.7837 (m-30) REVERT: ID 1 MET cc_start: 0.7075 (mtm) cc_final: 0.6739 (mtm) REVERT: IF 12 LYS cc_start: 0.9266 (ttpt) cc_final: 0.8943 (tptp) REVERT: IG 9 LYS cc_start: 0.9198 (tptm) cc_final: 0.8850 (tptt) REVERT: IH 6 LYS cc_start: 0.9312 (ptpt) cc_final: 0.9005 (ptpp) REVERT: IJ 12 LYS cc_start: 0.9282 (ttpt) cc_final: 0.8716 (tppt) REVERT: IK 9 LYS cc_start: 0.9180 (tptt) cc_final: 0.8588 (tptp) REVERT: IK 13 ASP cc_start: 0.8744 (m-30) cc_final: 0.7622 (m-30) REVERT: IL 6 LYS cc_start: 0.9290 (ptpt) cc_final: 0.9029 (ptpp) REVERT: IL 15 LEU cc_start: 0.8843 (OUTLIER) cc_final: 0.8535 (tp) REVERT: IL 21 ASN cc_start: 0.7592 (p0) cc_final: 0.7234 (p0) REVERT: IO 2 GLU cc_start: 0.8724 (tp30) cc_final: 0.8312 (tp30) REVERT: IO 6 LYS cc_start: 0.9053 (mtpp) cc_final: 0.8613 (mttm) REVERT: IO 9 LYS cc_start: 0.9220 (tptt) cc_final: 0.8621 (tptm) REVERT: IO 13 ASP cc_start: 0.8803 (m-30) cc_final: 0.7909 (m-30) REVERT: IP 1 MET cc_start: 0.7326 (mtm) cc_final: 0.6952 (mtm) REVERT: IP 6 LYS cc_start: 0.9312 (ptpt) cc_final: 0.8990 (ptpp) REVERT: IP 12 LYS cc_start: 0.9325 (ttpt) cc_final: 0.9037 (tmmt) REVERT: IQ 3 PHE cc_start: 0.9026 (m-80) cc_final: 0.8514 (m-10) REVERT: IR 11 PHE cc_start: 0.8858 (m-10) cc_final: 0.8544 (m-80) REVERT: IR 12 LYS cc_start: 0.9119 (tttt) cc_final: 0.8667 (tppt) REVERT: IS 2 GLU cc_start: 0.8695 (tp30) cc_final: 0.8387 (tp30) REVERT: IS 6 LYS cc_start: 0.9225 (mmtm) cc_final: 0.8894 (mmtm) REVERT: IS 9 LYS cc_start: 0.9181 (tptt) cc_final: 0.8895 (tptm) REVERT: IS 13 ASP cc_start: 0.8740 (m-30) cc_final: 0.8165 (m-30) REVERT: IT 6 LYS cc_start: 0.9329 (ptmt) cc_final: 0.9074 (ptpp) REVERT: IW 9 LYS cc_start: 0.9274 (tptm) cc_final: 0.9051 (tptm) REVERT: IX 12 LYS cc_start: 0.9264 (tmmt) cc_final: 0.9012 (tmmt) REVERT: IZ 12 LYS cc_start: 0.9222 (tttm) cc_final: 0.8839 (tppt) REVERT: I1 1 MET cc_start: 0.7010 (mtm) cc_final: 0.6710 (mmm) REVERT: I4 9 LYS cc_start: 0.9084 (tptm) cc_final: 0.8776 (tptt) REVERT: I7 12 LYS cc_start: 0.9113 (tttt) cc_final: 0.8734 (tppt) REVERT: I8 2 GLU cc_start: 0.8776 (tp30) cc_final: 0.8363 (tp30) REVERT: I9 6 LYS cc_start: 0.9254 (ptmt) cc_final: 0.8941 (ptpp) REVERT: JD 12 LYS cc_start: 0.9308 (tmmt) cc_final: 0.9041 (tmmt) REVERT: JD 21 ASN cc_start: 0.7318 (p0) cc_final: 0.7024 (p0) REVERT: JE 1 MET cc_start: 0.6043 (ttm) cc_final: 0.5783 (ttt) REVERT: JF 12 LYS cc_start: 0.9192 (tptm) cc_final: 0.8659 (tppt) REVERT: JG 9 LYS cc_start: 0.9307 (tptm) cc_final: 0.8873 (tppt) REVERT: JG 13 ASP cc_start: 0.8891 (OUTLIER) cc_final: 0.8473 (m-30) REVERT: JH 12 LYS cc_start: 0.9347 (tmmt) cc_final: 0.9032 (tmmt) REVERT: JH 18 PHE cc_start: 0.8879 (t80) cc_final: 0.8506 (t80) REVERT: JJ 2 GLU cc_start: 0.8353 (pm20) cc_final: 0.8148 (pm20) REVERT: JJ 15 LEU cc_start: 0.9542 (tp) cc_final: 0.9276 (tp) REVERT: JK 18 PHE cc_start: 0.8813 (OUTLIER) cc_final: 0.8263 (t80) REVERT: JL 13 ASP cc_start: 0.8843 (t70) cc_final: 0.8441 (t0) REVERT: JM 9 LYS cc_start: 0.9371 (tppt) cc_final: 0.9092 (tppt) REVERT: JN 13 ASP cc_start: 0.9060 (t0) cc_final: 0.8671 (t0) REVERT: JO 2 GLU cc_start: 0.8791 (tp30) cc_final: 0.8438 (tp30) REVERT: JO 6 LYS cc_start: 0.9410 (mmtt) cc_final: 0.9207 (mmtt) REVERT: JO 9 LYS cc_start: 0.9176 (tptm) cc_final: 0.8533 (tptm) REVERT: JO 13 ASP cc_start: 0.8810 (m-30) cc_final: 0.8019 (m-30) REVERT: JP 12 LYS cc_start: 0.9407 (tmmt) cc_final: 0.9161 (tmmt) REVERT: JP 13 ASP cc_start: 0.8844 (t0) cc_final: 0.8556 (t0) REVERT: JP 18 PHE cc_start: 0.9035 (t80) cc_final: 0.8811 (t80) REVERT: JQ 1 MET cc_start: 0.7044 (tmm) cc_final: 0.6348 (tmm) REVERT: JT 6 LYS cc_start: 0.9238 (ptpt) cc_final: 0.8947 (pttt) REVERT: JW 2 GLU cc_start: 0.8845 (tp30) cc_final: 0.8605 (tp30) REVERT: JW 13 ASP cc_start: 0.8602 (m-30) cc_final: 0.7976 (m-30) REVERT: JX 1 MET cc_start: 0.7063 (mtm) cc_final: 0.6739 (mtm) REVERT: JX 13 ASP cc_start: 0.8860 (t0) cc_final: 0.8599 (t70) REVERT: JY 3 PHE cc_start: 0.8649 (m-80) cc_final: 0.7923 (m-80) REVERT: J0 9 LYS cc_start: 0.9231 (tptm) cc_final: 0.8796 (tptt) REVERT: J0 13 ASP cc_start: 0.8860 (m-30) cc_final: 0.8396 (m-30) REVERT: J0 17 LYS cc_start: 0.9187 (mtpp) cc_final: 0.8946 (mtpt) REVERT: J4 9 LYS cc_start: 0.9230 (tptm) cc_final: 0.8575 (tptt) REVERT: J4 13 ASP cc_start: 0.8623 (m-30) cc_final: 0.7232 (m-30) REVERT: J5 6 LYS cc_start: 0.9283 (ptmt) cc_final: 0.8950 (ptmm) REVERT: J5 13 ASP cc_start: 0.8916 (t0) cc_final: 0.8705 (t0) REVERT: J6 1 MET cc_start: 0.5762 (tmm) cc_final: 0.5254 (tmm) REVERT: J8 6 LYS cc_start: 0.9249 (mttm) cc_final: 0.8928 (mttm) REVERT: J8 9 LYS cc_start: 0.9254 (tptm) cc_final: 0.8873 (tptp) REVERT: J8 19 LEU cc_start: 0.8151 (OUTLIER) cc_final: 0.7811 (tt) REVERT: KD 6 LYS cc_start: 0.9359 (ptpt) cc_final: 0.9101 (ptpp) REVERT: KD 13 ASP cc_start: 0.8915 (t0) cc_final: 0.8459 (t0) REVERT: KF 13 ASP cc_start: 0.8777 (t0) cc_final: 0.8360 (t0) REVERT: KG 2 GLU cc_start: 0.8763 (tp30) cc_final: 0.8403 (tp30) REVERT: KG 6 LYS cc_start: 0.9361 (mmtt) cc_final: 0.9086 (mmtt) REVERT: KG 9 LYS cc_start: 0.9046 (tptm) cc_final: 0.8577 (tptm) REVERT: KH 1 MET cc_start: 0.7124 (mtm) cc_final: 0.6411 (mtm) REVERT: KH 6 LYS cc_start: 0.9036 (ptpp) cc_final: 0.8818 (ptmm) REVERT: KH 15 LEU cc_start: 0.8850 (OUTLIER) cc_final: 0.8447 (tp) REVERT: KJ 2 GLU cc_start: 0.8434 (pm20) cc_final: 0.8133 (pm20) REVERT: KL 6 LYS cc_start: 0.9264 (ptpt) cc_final: 0.9061 (pttt) REVERT: KL 13 ASP cc_start: 0.8775 (t0) cc_final: 0.8519 (t70) REVERT: KO 9 LYS cc_start: 0.9165 (tptt) cc_final: 0.8575 (tptm) REVERT: KO 13 ASP cc_start: 0.8674 (m-30) cc_final: 0.7620 (m-30) REVERT: KO 18 PHE cc_start: 0.8615 (OUTLIER) cc_final: 0.7951 (t80) REVERT: KP 6 LYS cc_start: 0.9253 (ptpt) cc_final: 0.8894 (ptmm) REVERT: KP 12 LYS cc_start: 0.9366 (tmmt) cc_final: 0.9015 (tmmt) REVERT: KP 21 ASN cc_start: 0.6923 (p0) cc_final: 0.6578 (p0) REVERT: KR 12 LYS cc_start: 0.9284 (ttpt) cc_final: 0.8874 (tppt) REVERT: KS 2 GLU cc_start: 0.8983 (tp30) cc_final: 0.8764 (tp30) REVERT: KS 9 LYS cc_start: 0.9193 (tptm) cc_final: 0.8853 (tptm) REVERT: KS 13 ASP cc_start: 0.8836 (m-30) cc_final: 0.8437 (m-30) REVERT: KV 13 ASP cc_start: 0.8981 (t0) cc_final: 0.8467 (t0) REVERT: KW 9 LYS cc_start: 0.9290 (tptm) cc_final: 0.8881 (tptt) REVERT: KW 13 ASP cc_start: 0.8838 (m-30) cc_final: 0.8245 (m-30) REVERT: KX 6 LYS cc_start: 0.9191 (ptpp) cc_final: 0.8821 (ptmm) REVERT: KZ 12 LYS cc_start: 0.9180 (tttm) cc_final: 0.8629 (tptp) REVERT: K0 2 GLU cc_start: 0.8876 (tp30) cc_final: 0.8554 (tp30) REVERT: K0 6 LYS cc_start: 0.9357 (mmtt) cc_final: 0.8979 (mmtm) REVERT: K0 13 ASP cc_start: 0.8849 (m-30) cc_final: 0.8460 (m-30) REVERT: K1 1 MET cc_start: 0.7124 (mtm) cc_final: 0.6692 (mtm) REVERT: K1 6 LYS cc_start: 0.9344 (ptmt) cc_final: 0.9000 (ptpp) REVERT: K3 12 LYS cc_start: 0.9179 (tttm) cc_final: 0.8896 (tppt) REVERT: K4 1 MET cc_start: 0.7344 (pmm) cc_final: 0.6858 (pmm) REVERT: K4 2 GLU cc_start: 0.8572 (tp30) cc_final: 0.8252 (tp30) REVERT: K8 1 MET cc_start: 0.7523 (pmm) cc_final: 0.6522 (pmm) REVERT: K8 9 LYS cc_start: 0.9210 (tptt) cc_final: 0.8831 (tptp) REVERT: LA 12 LYS cc_start: 0.9057 (OUTLIER) cc_final: 0.8744 (tptm) REVERT: LC 2 GLU cc_start: 0.8818 (tp30) cc_final: 0.8510 (tp30) REVERT: LC 6 LYS cc_start: 0.9237 (mmtp) cc_final: 0.9031 (mmtp) REVERT: LD 18 PHE cc_start: 0.8809 (t80) cc_final: 0.8424 (t80) REVERT: LE 1 MET cc_start: 0.6786 (tmm) cc_final: 0.6317 (tmm) REVERT: LE 3 PHE cc_start: 0.9103 (m-80) cc_final: 0.8882 (m-80) REVERT: LG 1 MET cc_start: 0.7214 (pmm) cc_final: 0.6620 (pmm) REVERT: LG 9 LYS cc_start: 0.9181 (tptt) cc_final: 0.8880 (tptt) REVERT: LH 6 LYS cc_start: 0.9276 (ptpp) cc_final: 0.9004 (ptmm) REVERT: LK 2 GLU cc_start: 0.8839 (tp30) cc_final: 0.8358 (tp30) REVERT: LK 6 LYS cc_start: 0.9405 (mmtt) cc_final: 0.8848 (mmtm) REVERT: LK 9 LYS cc_start: 0.9109 (tptm) cc_final: 0.8853 (tptm) REVERT: LK 13 ASP cc_start: 0.8846 (m-30) cc_final: 0.8497 (m-30) REVERT: LL 12 LYS cc_start: 0.9334 (tmmt) cc_final: 0.9070 (tmmt) REVERT: LO 1 MET cc_start: 0.7416 (pmm) cc_final: 0.6932 (pmm) REVERT: LO 2 GLU cc_start: 0.8769 (tp30) cc_final: 0.8555 (tp30) REVERT: LO 9 LYS cc_start: 0.9229 (tptt) cc_final: 0.9000 (tptm) REVERT: LO 17 LYS cc_start: 0.8988 (mtpt) cc_final: 0.8755 (mtpt) REVERT: LS 9 LYS cc_start: 0.9192 (tptt) cc_final: 0.8857 (tptm) REVERT: LS 13 ASP cc_start: 0.8677 (m-30) cc_final: 0.8176 (m-30) REVERT: LW 9 LYS cc_start: 0.9202 (tptt) cc_final: 0.8961 (tptm) REVERT: LX 6 LYS cc_start: 0.9368 (ptmt) cc_final: 0.9082 (ptpp) REVERT: LX 12 LYS cc_start: 0.9396 (tmmt) cc_final: 0.9059 (tmmt) REVERT: LZ 12 LYS cc_start: 0.9097 (ttpt) cc_final: 0.8689 (tppt) REVERT: L0 9 LYS cc_start: 0.9042 (tptp) cc_final: 0.8706 (tptt) REVERT: L0 19 LEU cc_start: 0.7956 (OUTLIER) cc_final: 0.7702 (tt) REVERT: L4 2 GLU cc_start: 0.8952 (tp30) cc_final: 0.8693 (tp30) REVERT: L4 9 LYS cc_start: 0.9180 (tptt) cc_final: 0.8594 (tptp) REVERT: L4 13 ASP cc_start: 0.8677 (m-30) cc_final: 0.7343 (m-30) REVERT: L5 1 MET cc_start: 0.7000 (mtm) cc_final: 0.6690 (mtm) REVERT: L6 18 PHE cc_start: 0.8850 (t80) cc_final: 0.8552 (t80) REVERT: L7 12 LYS cc_start: 0.9275 (ttpt) cc_final: 0.8699 (tppt) REVERT: L7 13 ASP cc_start: 0.9025 (t0) cc_final: 0.8637 (t0) REVERT: L8 9 LYS cc_start: 0.9218 (tptm) cc_final: 0.8472 (tptm) REVERT: L8 13 ASP cc_start: 0.8798 (m-30) cc_final: 0.7956 (m-30) REVERT: L9 6 LYS cc_start: 0.9323 (ptpt) cc_final: 0.8987 (ptpp) REVERT: L9 13 ASP cc_start: 0.8901 (t0) cc_final: 0.8522 (t0) REVERT: MB 9 LYS cc_start: 0.9241 (tppt) cc_final: 0.9016 (ttmm) REVERT: MC 2 GLU cc_start: 0.8827 (tp30) cc_final: 0.8574 (tp30) REVERT: MD 6 LYS cc_start: 0.9324 (ptmt) cc_final: 0.8969 (ptpp) REVERT: MD 13 ASP cc_start: 0.8755 (t0) cc_final: 0.8413 (t0) REVERT: MH 6 LYS cc_start: 0.9293 (ptmt) cc_final: 0.9033 (ptpp) REVERT: MH 13 ASP cc_start: 0.8888 (t0) cc_final: 0.8510 (t0) REVERT: MK 9 LYS cc_start: 0.9124 (tptt) cc_final: 0.8912 (tptt) REVERT: ML 6 LYS cc_start: 0.9200 (ptpp) cc_final: 0.8897 (ptmm) REVERT: ML 12 LYS cc_start: 0.9372 (tmmt) cc_final: 0.9048 (tmmt) REVERT: MO 6 LYS cc_start: 0.9224 (mtpp) cc_final: 0.8966 (mtpp) REVERT: MO 9 LYS cc_start: 0.9126 (tptt) cc_final: 0.8625 (tptp) REVERT: MO 13 ASP cc_start: 0.8721 (m-30) cc_final: 0.7929 (m-30) REVERT: MR 2 GLU cc_start: 0.8404 (pm20) cc_final: 0.8127 (pm20) REVERT: MR 11 PHE cc_start: 0.9017 (m-10) cc_final: 0.8709 (m-80) REVERT: MS 9 LYS cc_start: 0.9205 (tptm) cc_final: 0.8894 (tptm) REVERT: MT 21 ASN cc_start: 0.6989 (p0) cc_final: 0.6629 (p0) REVERT: MW 9 LYS cc_start: 0.9283 (tptm) cc_final: 0.8867 (tptt) REVERT: MX 12 LYS cc_start: 0.9267 (tmmt) cc_final: 0.8953 (tmmt) REVERT: MZ 1 MET cc_start: 0.7859 (ptt) cc_final: 0.7503 (ptt) REVERT: M0 2 GLU cc_start: 0.8899 (tp30) cc_final: 0.8309 (tp30) REVERT: M0 6 LYS cc_start: 0.9081 (ttmm) cc_final: 0.8832 (mmtp) REVERT: M0 9 LYS cc_start: 0.9103 (tptt) cc_final: 0.8681 (tptp) REVERT: M0 13 ASP cc_start: 0.8756 (m-30) cc_final: 0.8080 (m-30) REVERT: M1 6 LYS cc_start: 0.9293 (ptmt) cc_final: 0.9051 (ptpp) REVERT: M2 2 GLU cc_start: 0.6461 (tm-30) cc_final: 0.6246 (tm-30) REVERT: M4 9 LYS cc_start: 0.9240 (tptt) cc_final: 0.8944 (tptt) REVERT: M5 12 LYS cc_start: 0.9395 (tttm) cc_final: 0.9094 (tmmt) REVERT: M6 1 MET cc_start: 0.6706 (ttm) cc_final: 0.6264 (ttt) REVERT: M8 9 LYS cc_start: 0.9148 (tptt) cc_final: 0.8403 (tptm) REVERT: M8 13 ASP cc_start: 0.8761 (m-30) cc_final: 0.7675 (m-30) REVERT: M9 6 LYS cc_start: 0.9219 (ptpt) cc_final: 0.8973 (ptpp) REVERT: NB 2 GLU cc_start: 0.8563 (pm20) cc_final: 0.8130 (pm20) REVERT: NB 12 LYS cc_start: 0.9309 (ttpt) cc_final: 0.8903 (tppt) REVERT: NC 9 LYS cc_start: 0.9208 (tptt) cc_final: 0.8932 (tptm) REVERT: ND 6 LYS cc_start: 0.9355 (ptmt) cc_final: 0.8940 (ptpp) REVERT: ND 13 ASP cc_start: 0.8851 (t0) cc_final: 0.8536 (t0) REVERT: NF 13 ASP cc_start: 0.8924 (t0) cc_final: 0.8297 (t0) REVERT: NG 9 LYS cc_start: 0.9303 (tptm) cc_final: 0.8905 (tptt) REVERT: NK 1 MET cc_start: 0.7073 (pmm) cc_final: 0.6482 (pmm) REVERT: NK 13 ASP cc_start: 0.8736 (m-30) cc_final: 0.8450 (m-30) REVERT: NL 13 ASP cc_start: 0.8863 (t0) cc_final: 0.8547 (t0) REVERT: NL 21 ASN cc_start: 0.7303 (p0) cc_final: 0.7036 (p0) REVERT: NM 2 GLU cc_start: 0.7915 (OUTLIER) cc_final: 0.7329 (tm-30) REVERT: NO 2 GLU cc_start: 0.8788 (tp30) cc_final: 0.8324 (tp30) REVERT: NO 6 LYS cc_start: 0.9298 (mmtt) cc_final: 0.9000 (mmtt) REVERT: NO 9 LYS cc_start: 0.9182 (tptt) cc_final: 0.8576 (tptp) REVERT: NO 13 ASP cc_start: 0.8641 (m-30) cc_final: 0.7678 (m-30) REVERT: NQ 2 GLU cc_start: 0.7503 (pp20) cc_final: 0.7074 (pp20) REVERT: NS 17 LYS cc_start: 0.9067 (mtpt) cc_final: 0.8842 (mtpt) REVERT: NT 6 LYS cc_start: 0.9298 (ptmt) cc_final: 0.8935 (ptmt) REVERT: NT 13 ASP cc_start: 0.8774 (t0) cc_final: 0.8414 (t0) REVERT: NW 2 GLU cc_start: 0.8773 (tp30) cc_final: 0.8545 (tp30) REVERT: NW 6 LYS cc_start: 0.9207 (mmtm) cc_final: 0.8823 (mmtp) REVERT: NX 1 MET cc_start: 0.7245 (mtp) cc_final: 0.7022 (mtp) REVERT: NZ 2 GLU cc_start: 0.8429 (pm20) cc_final: 0.8196 (pm20) REVERT: N0 2 GLU cc_start: 0.8838 (tp30) cc_final: 0.8351 (tp30) REVERT: N0 6 LYS cc_start: 0.9377 (mmtm) cc_final: 0.9076 (mmtt) REVERT: N0 13 ASP cc_start: 0.8541 (m-30) cc_final: 0.8177 (m-30) REVERT: N1 18 PHE cc_start: 0.8818 (t80) cc_final: 0.8329 (t80) REVERT: N4 2 GLU cc_start: 0.8809 (tp30) cc_final: 0.8377 (tp30) REVERT: N4 9 LYS cc_start: 0.9223 (tptm) cc_final: 0.8886 (tptt) REVERT: N5 1 MET cc_start: 0.7388 (mtm) cc_final: 0.7135 (mtp) REVERT: N6 1 MET cc_start: 0.7281 (ttt) cc_final: 0.6624 (ttt) REVERT: N8 9 LYS cc_start: 0.9093 (tptt) cc_final: 0.8818 (tptm) REVERT: N8 13 ASP cc_start: 0.8639 (m-30) cc_final: 0.8170 (m-30) REVERT: N9 13 ASP cc_start: 0.8828 (t0) cc_final: 0.8473 (t0) REVERT: N9 21 ASN cc_start: 0.7584 (OUTLIER) cc_final: 0.7249 (p0) REVERT: OC 9 LYS cc_start: 0.9330 (tptm) cc_final: 0.8731 (tptp) REVERT: OC 13 ASP cc_start: 0.8822 (m-30) cc_final: 0.8065 (m-30) REVERT: OC 18 PHE cc_start: 0.8979 (OUTLIER) cc_final: 0.8595 (t80) REVERT: OD 1 MET cc_start: 0.7038 (mtm) cc_final: 0.6777 (mtm) REVERT: OD 6 LYS cc_start: 0.9212 (ptmt) cc_final: 0.8926 (ptpp) REVERT: OE 9 LYS cc_start: 0.9271 (tppt) cc_final: 0.9004 (tppt) REVERT: OF 12 LYS cc_start: 0.9170 (tttm) cc_final: 0.8863 (tppt) REVERT: OG 9 LYS cc_start: 0.8981 (tptp) cc_final: 0.8676 (tptt) REVERT: OG 18 PHE cc_start: 0.8675 (OUTLIER) cc_final: 0.8078 (t80) REVERT: OH 1 MET cc_start: 0.7237 (mtm) cc_final: 0.6989 (mtm) REVERT: OH 6 LYS cc_start: 0.9286 (ptmt) cc_final: 0.8846 (ptmt) REVERT: OJ 12 LYS cc_start: 0.9349 (OUTLIER) cc_final: 0.9027 (tptm) REVERT: OK 2 GLU cc_start: 0.8717 (tp30) cc_final: 0.8347 (tp30) REVERT: OK 9 LYS cc_start: 0.9271 (tptm) cc_final: 0.9058 (tptt) REVERT: OK 13 ASP cc_start: 0.8838 (m-30) cc_final: 0.8395 (m-30) REVERT: OO 9 LYS cc_start: 0.9113 (tptt) cc_final: 0.8698 (tptt) REVERT: OP 6 LYS cc_start: 0.9204 (ptmt) cc_final: 0.8904 (ptpp) REVERT: OR 12 LYS cc_start: 0.9312 (ttpt) cc_final: 0.8749 (tppt) REVERT: OR 13 ASP cc_start: 0.9010 (t0) cc_final: 0.8330 (t0) REVERT: OS 9 LYS cc_start: 0.9227 (tptm) cc_final: 0.8424 (tptt) REVERT: OS 13 ASP cc_start: 0.8729 (m-30) cc_final: 0.7642 (m-30) REVERT: OT 1 MET cc_start: 0.7320 (mtm) cc_final: 0.6993 (mtm) REVERT: OT 15 LEU cc_start: 0.9007 (OUTLIER) cc_final: 0.8495 (tp) REVERT: OV 9 LYS cc_start: 0.9001 (ttmm) cc_final: 0.8750 (tppt) REVERT: OX 6 LYS cc_start: 0.9306 (ptmt) cc_final: 0.8986 (ptpp) REVERT: O0 13 ASP cc_start: 0.8674 (OUTLIER) cc_final: 0.8272 (m-30) REVERT: O1 6 LYS cc_start: 0.9333 (ptmt) cc_final: 0.9073 (ptpp) REVERT: O1 12 LYS cc_start: 0.9284 (tmmt) cc_final: 0.9014 (tmmt) REVERT: O1 15 LEU cc_start: 0.8947 (OUTLIER) cc_final: 0.8488 (tp) REVERT: O3 6 LYS cc_start: 0.9222 (ttmm) cc_final: 0.8975 (mtmm) REVERT: O4 9 LYS cc_start: 0.9173 (tptm) cc_final: 0.8816 (tptp) REVERT: O4 13 ASP cc_start: 0.8798 (m-30) cc_final: 0.8346 (m-30) REVERT: O4 17 LYS cc_start: 0.9154 (mtpp) cc_final: 0.8854 (mtpp) REVERT: O5 6 LYS cc_start: 0.9356 (ptpt) cc_final: 0.9045 (pttt) REVERT: O5 13 ASP cc_start: 0.8809 (t0) cc_final: 0.8496 (t70) REVERT: O8 9 LYS cc_start: 0.9193 (tptt) cc_final: 0.8744 (tptp) REVERT: O8 13 ASP cc_start: 0.8599 (m-30) cc_final: 0.7730 (m-30) REVERT: O8 15 LEU cc_start: 0.8362 (OUTLIER) cc_final: 0.8108 (tp) REVERT: PC 2 GLU cc_start: 0.8825 (tp30) cc_final: 0.8419 (tp30) REVERT: PC 9 LYS cc_start: 0.9206 (tptm) cc_final: 0.8423 (tptm) REVERT: PC 13 ASP cc_start: 0.8836 (m-30) cc_final: 0.8000 (m-30) REVERT: PF 15 LEU cc_start: 0.9656 (tp) cc_final: 0.9446 (tp) REVERT: PG 9 LYS cc_start: 0.9309 (tptm) cc_final: 0.8935 (tptt) REVERT: PG 13 ASP cc_start: 0.8684 (m-30) cc_final: 0.8135 (m-30) REVERT: PK 13 ASP cc_start: 0.8799 (m-30) cc_final: 0.8497 (m-30) REVERT: PO 9 LYS cc_start: 0.9163 (tptt) cc_final: 0.8534 (tptm) REVERT: PO 13 ASP cc_start: 0.8581 (m-30) cc_final: 0.7606 (m-30) REVERT: PP 6 LYS cc_start: 0.9263 (ptmt) cc_final: 0.9002 (ptpp) REVERT: PS 2 GLU cc_start: 0.9037 (tp30) cc_final: 0.8776 (tp30) REVERT: PS 9 LYS cc_start: 0.9259 (tptm) cc_final: 0.8786 (tptm) REVERT: PS 13 ASP cc_start: 0.8891 (m-30) cc_final: 0.8077 (m-30) REVERT: PV 12 LYS cc_start: 0.9290 (tttm) cc_final: 0.8753 (tppt) REVERT: PV 13 ASP cc_start: 0.9071 (t0) cc_final: 0.8616 (t0) REVERT: PW 9 LYS cc_start: 0.9211 (tptt) cc_final: 0.8735 (tptm) REVERT: PW 13 ASP cc_start: 0.8638 (m-30) cc_final: 0.7659 (m-30) REVERT: PX 6 LYS cc_start: 0.9256 (ptmt) cc_final: 0.8964 (ptpp) REVERT: PZ 12 LYS cc_start: 0.9385 (ttpt) cc_final: 0.8861 (tppt) REVERT: P0 9 LYS cc_start: 0.9188 (tptt) cc_final: 0.8878 (tptt) REVERT: P1 15 LEU cc_start: 0.8673 (OUTLIER) cc_final: 0.8445 (tp) REVERT: P3 9 LYS cc_start: 0.9327 (tppt) cc_final: 0.9081 (ttmm) REVERT: P4 2 GLU cc_start: 0.8984 (tp30) cc_final: 0.8758 (tp30) REVERT: P4 9 LYS cc_start: 0.9143 (tptm) cc_final: 0.8705 (tptt) REVERT: P5 6 LYS cc_start: 0.9303 (ptmt) cc_final: 0.9060 (ptpp) REVERT: P5 12 LYS cc_start: 0.9369 (tmmt) cc_final: 0.9063 (tmmt) REVERT: P7 2 GLU cc_start: 0.8473 (pm20) cc_final: 0.8197 (pm20) REVERT: P8 9 LYS cc_start: 0.9177 (tptm) cc_final: 0.8773 (tptm) REVERT: P9 1 MET cc_start: 0.7388 (mtm) cc_final: 0.6995 (mtm) REVERT: QA 1 MET cc_start: 0.6292 (ttt) cc_final: 0.5819 (ttt) REVERT: QC 2 GLU cc_start: 0.8923 (tp30) cc_final: 0.8358 (tp30) REVERT: QC 9 LYS cc_start: 0.9229 (tptt) cc_final: 0.8811 (tptm) REVERT: QC 13 ASP cc_start: 0.8621 (m-30) cc_final: 0.7944 (m-30) REVERT: QD 1 MET cc_start: 0.6872 (mtt) cc_final: 0.6054 (mtm) REVERT: QD 6 LYS cc_start: 0.9336 (ptmt) cc_final: 0.9031 (ptpp) REVERT: QE 1 MET cc_start: 0.6681 (ttt) cc_final: 0.6332 (ttt) REVERT: QG 9 LYS cc_start: 0.9305 (tptt) cc_final: 0.8888 (tptm) REVERT: QG 13 ASP cc_start: 0.8649 (m-30) cc_final: 0.7869 (m-30) REVERT: QH 6 LYS cc_start: 0.9257 (ptmt) cc_final: 0.8936 (ptpp) REVERT: QH 12 LYS cc_start: 0.9402 (tmmt) cc_final: 0.9137 (tmmt) REVERT: QK 9 LYS cc_start: 0.9148 (tptm) cc_final: 0.8791 (tptm) REVERT: QL 12 LYS cc_start: 0.9313 (tmmt) cc_final: 0.9073 (tmmt) REVERT: QN 2 GLU cc_start: 0.8346 (pm20) cc_final: 0.7955 (pm20) REVERT: QO 9 LYS cc_start: 0.9154 (tptt) cc_final: 0.8839 (tptt) REVERT: QP 12 LYS cc_start: 0.9341 (tmmt) cc_final: 0.8987 (tmmt) REVERT: QP 15 LEU cc_start: 0.8794 (OUTLIER) cc_final: 0.8470 (tp) REVERT: QQ 1 MET cc_start: 0.6973 (ttp) cc_final: 0.5942 (tmm) REVERT: QT 13 ASP cc_start: 0.8848 (t0) cc_final: 0.8521 (t0) REVERT: QW 9 LYS cc_start: 0.9252 (tptm) cc_final: 0.8770 (tptm) REVERT: QW 13 ASP cc_start: 0.8760 (m-30) cc_final: 0.8038 (m-30) REVERT: QX 1 MET cc_start: 0.7258 (mtm) cc_final: 0.6951 (mtm) REVERT: QX 6 LYS cc_start: 0.9282 (ptmt) cc_final: 0.8790 (ptpp) REVERT: QX 21 ASN cc_start: 0.7540 (p0) cc_final: 0.7256 (p0) REVERT: QZ 12 LYS cc_start: 0.9087 (ttpt) cc_final: 0.8568 (tptp) REVERT: Q0 9 LYS cc_start: 0.9324 (tptm) cc_final: 0.9010 (tptt) REVERT: Q0 13 ASP cc_start: 0.8672 (m-30) cc_final: 0.8307 (m-30) REVERT: Q1 13 ASP cc_start: 0.8918 (t0) cc_final: 0.8558 (t0) REVERT: Q1 21 ASN cc_start: 0.7511 (p0) cc_final: 0.7137 (p0) REVERT: Q4 2 GLU cc_start: 0.8975 (tp30) cc_final: 0.8625 (tp30) REVERT: Q4 6 LYS cc_start: 0.9400 (mmtt) cc_final: 0.9084 (mmtp) REVERT: Q4 9 LYS cc_start: 0.9209 (tptt) cc_final: 0.8963 (tptp) REVERT: Q5 13 ASP cc_start: 0.8814 (t0) cc_final: 0.8516 (t0) REVERT: Q6 1 MET cc_start: 0.7185 (ttt) cc_final: 0.6481 (ttt) REVERT: Q7 2 GLU cc_start: 0.8504 (pm20) cc_final: 0.8217 (pm20) REVERT: Q8 2 GLU cc_start: 0.8946 (tp30) cc_final: 0.8162 (tp30) REVERT: Q8 6 LYS cc_start: 0.9449 (mmtt) cc_final: 0.8985 (mmtp) REVERT: Q8 9 LYS cc_start: 0.9222 (tptt) cc_final: 0.8946 (tptt) REVERT: Q8 13 ASP cc_start: 0.8728 (m-30) cc_final: 0.8190 (m-30) REVERT: Q9 1 MET cc_start: 0.7326 (mtm) cc_final: 0.7000 (mtm) REVERT: RA 1 MET cc_start: 0.6341 (OUTLIER) cc_final: 0.6068 (ttm) REVERT: RC 9 LYS cc_start: 0.9239 (tptt) cc_final: 0.9035 (tptm) REVERT: RC 13 ASP cc_start: 0.8636 (m-30) cc_final: 0.8231 (m-30) REVERT: RD 15 LEU cc_start: 0.8768 (OUTLIER) cc_final: 0.8466 (tt) REVERT: RE 1 MET cc_start: 0.6240 (tmm) cc_final: 0.5975 (tmm) REVERT: RF 2 GLU cc_start: 0.8180 (pm20) cc_final: 0.7835 (pm20) REVERT: RG 9 LYS cc_start: 0.9263 (tptt) cc_final: 0.9000 (tptm) REVERT: RG 13 ASP cc_start: 0.8694 (m-30) cc_final: 0.8096 (m-30) REVERT: RH 21 ASN cc_start: 0.7307 (p0) cc_final: 0.7073 (p0) REVERT: RI 1 MET cc_start: 0.6316 (ttt) cc_final: 0.6076 (ttt) REVERT: RJ 12 LYS cc_start: 0.9161 (tttm) cc_final: 0.8837 (tppt) REVERT: RK 13 ASP cc_start: 0.8778 (m-30) cc_final: 0.8519 (m-30) REVERT: RK 18 PHE cc_start: 0.8869 (OUTLIER) cc_final: 0.8349 (t80) REVERT: RL 6 LYS cc_start: 0.9025 (ptpp) cc_final: 0.8822 (ptmm) REVERT: RL 13 ASP cc_start: 0.8906 (t0) cc_final: 0.8546 (t0) REVERT: RN 12 LYS cc_start: 0.9026 (tptm) cc_final: 0.8501 (tppt) REVERT: RO 9 LYS cc_start: 0.9204 (tptt) cc_final: 0.8714 (tptp) REVERT: RO 13 ASP cc_start: 0.8765 (m-30) cc_final: 0.7474 (m-30) REVERT: RP 12 LYS cc_start: 0.9457 (tmmt) cc_final: 0.9187 (tmmt) REVERT: RQ 13 ASP cc_start: 0.8486 (OUTLIER) cc_final: 0.8275 (p0) REVERT: RT 6 LYS cc_start: 0.9337 (ptmt) cc_final: 0.9092 (ptpp) REVERT: RV 2 GLU cc_start: 0.8304 (pm20) cc_final: 0.7894 (pm20) REVERT: RV 12 LYS cc_start: 0.9198 (tttt) cc_final: 0.8541 (tptp) REVERT: RW 1 MET cc_start: 0.4113 (OUTLIER) cc_final: 0.2841 (mmt) REVERT: RW 9 LYS cc_start: 0.9299 (tptt) cc_final: 0.8963 (tptm) REVERT: RW 13 ASP cc_start: 0.8602 (m-30) cc_final: 0.7978 (m-30) REVERT: RX 12 LYS cc_start: 0.9283 (tmmt) cc_final: 0.9006 (tmmt) REVERT: RY 1 MET cc_start: 0.6706 (ttt) cc_final: 0.6256 (ttt) REVERT: R0 2 GLU cc_start: 0.8845 (tp30) cc_final: 0.8417 (tp30) REVERT: R0 6 LYS cc_start: 0.9379 (mmtt) cc_final: 0.9036 (mmtp) REVERT: R0 9 LYS cc_start: 0.9257 (tptm) cc_final: 0.8732 (tptp) REVERT: R1 6 LYS cc_start: 0.9355 (ptmt) cc_final: 0.9110 (ptpp) REVERT: R3 2 GLU cc_start: 0.8489 (pm20) cc_final: 0.8216 (pm20) REVERT: R4 6 LYS cc_start: 0.9389 (mmtm) cc_final: 0.8980 (mmtp) REVERT: R4 9 LYS cc_start: 0.9251 (tptm) cc_final: 0.9000 (tptm) REVERT: R4 13 ASP cc_start: 0.8878 (OUTLIER) cc_final: 0.8604 (m-30) REVERT: R5 6 LYS cc_start: 0.9306 (ptmt) cc_final: 0.8924 (ptmt) REVERT: R5 13 ASP cc_start: 0.8900 (t0) cc_final: 0.8540 (t0) REVERT: R7 9 LYS cc_start: 0.9264 (tppt) cc_final: 0.9038 (ttmm) REVERT: R8 9 LYS cc_start: 0.9223 (tptm) cc_final: 0.8531 (tptp) REVERT: R8 13 ASP cc_start: 0.8856 (OUTLIER) cc_final: 0.7774 (m-30) REVERT: SA 1 MET cc_start: 0.5551 (tmm) cc_final: 0.5330 (tmm) REVERT: SC 9 LYS cc_start: 0.9253 (tptt) cc_final: 0.8872 (tptm) REVERT: SC 13 ASP cc_start: 0.8564 (m-30) cc_final: 0.7933 (m-30) REVERT: SC 17 LYS cc_start: 0.9113 (mtpt) cc_final: 0.8839 (mtpt) REVERT: SD 6 LYS cc_start: 0.9262 (ptpt) cc_final: 0.9049 (ptpp) REVERT: SG 2 GLU cc_start: 0.9102 (tp30) cc_final: 0.8607 (tp30) REVERT: SG 6 LYS cc_start: 0.9399 (mmtt) cc_final: 0.9083 (mmtp) REVERT: SG 9 LYS cc_start: 0.9251 (tptm) cc_final: 0.8892 (tptm) REVERT: SG 13 ASP cc_start: 0.8640 (m-30) cc_final: 0.7760 (m-30) REVERT: SG 18 PHE cc_start: 0.8726 (OUTLIER) cc_final: 0.8158 (t80) REVERT: SI 13 ASP cc_start: 0.8394 (OUTLIER) cc_final: 0.8150 (p0) REVERT: SK 2 GLU cc_start: 0.8714 (tp30) cc_final: 0.7989 (tp30) REVERT: SK 6 LYS cc_start: 0.9345 (mmtm) cc_final: 0.8869 (mtpp) REVERT: SK 13 ASP cc_start: 0.8688 (m-30) cc_final: 0.8477 (m-30) REVERT: SL 6 LYS cc_start: 0.9213 (ptmt) cc_final: 0.9012 (ptpp) REVERT: SO 13 ASP cc_start: 0.8814 (m-30) cc_final: 0.8600 (m-30) REVERT: SP 1 MET cc_start: 0.7388 (mtm) cc_final: 0.7124 (mtm) REVERT: SP 11 PHE cc_start: 0.8927 (OUTLIER) cc_final: 0.8678 (m-10) REVERT: SP 12 LYS cc_start: 0.9375 (tmmt) cc_final: 0.9061 (tmmt) REVERT: SS 9 LYS cc_start: 0.9187 (tptm) cc_final: 0.8904 (tptm) REVERT: SS 19 LEU cc_start: 0.7946 (OUTLIER) cc_final: 0.7731 (tt) REVERT: ST 13 ASP cc_start: 0.8851 (t0) cc_final: 0.8548 (t0) REVERT: SU 8 PHE cc_start: 0.9232 (m-80) cc_final: 0.8847 (m-80) REVERT: SV 12 LYS cc_start: 0.9296 (ttpt) cc_final: 0.8863 (tppt) REVERT: SW 9 LYS cc_start: 0.9121 (tptm) cc_final: 0.8831 (tptm) REVERT: SW 13 ASP cc_start: 0.8846 (m-30) cc_final: 0.8494 (m-30) REVERT: SW 18 PHE cc_start: 0.8761 (OUTLIER) cc_final: 0.8498 (t80) REVERT: SX 6 LYS cc_start: 0.9215 (ptmt) cc_final: 0.8937 (ptpp) REVERT: S0 9 LYS cc_start: 0.9016 (tptt) cc_final: 0.8722 (tptm) REVERT: S0 13 ASP cc_start: 0.8700 (m-30) cc_final: 0.7994 (m-30) REVERT: S4 2 GLU cc_start: 0.8797 (tp30) cc_final: 0.8449 (tp30) REVERT: S4 6 LYS cc_start: 0.9252 (mmtp) cc_final: 0.9009 (mmtp) REVERT: S4 9 LYS cc_start: 0.9235 (tptm) cc_final: 0.8954 (tptm) REVERT: S4 17 LYS cc_start: 0.9109 (mtpt) cc_final: 0.8629 (mtpp) REVERT: S4 18 PHE cc_start: 0.8871 (OUTLIER) cc_final: 0.8538 (t80) REVERT: S5 6 LYS cc_start: 0.9271 (ptmt) cc_final: 0.8853 (ptpp) REVERT: S7 11 PHE cc_start: 0.9110 (m-10) cc_final: 0.8776 (m-80) REVERT: S8 13 ASP cc_start: 0.8699 (m-30) cc_final: 0.8478 (m-30) REVERT: TB 9 LYS cc_start: 0.9286 (tppt) cc_final: 0.9062 (ttmm) REVERT: TC 2 GLU cc_start: 0.8628 (tp30) cc_final: 0.8401 (tp30) REVERT: TC 9 LYS cc_start: 0.9297 (tptt) cc_final: 0.9074 (tptt) REVERT: TC 13 ASP cc_start: 0.8703 (m-30) cc_final: 0.8181 (m-30) REVERT: TE 1 MET cc_start: 0.7244 (ttt) cc_final: 0.6867 (tpp) REVERT: TF 9 LYS cc_start: 0.9269 (tppt) cc_final: 0.9021 (ttmm) REVERT: TG 9 LYS cc_start: 0.9322 (tptm) cc_final: 0.8956 (tptm) REVERT: TK 9 LYS cc_start: 0.9223 (tptt) cc_final: 0.8869 (tptm) REVERT: TK 12 LYS cc_start: 0.9088 (ttmt) cc_final: 0.8651 (mptt) REVERT: TK 13 ASP cc_start: 0.8738 (m-30) cc_final: 0.8051 (m-30) REVERT: TL 6 LYS cc_start: 0.9267 (ptmt) cc_final: 0.8936 (ptpp) REVERT: TO 9 LYS cc_start: 0.9226 (tptt) cc_final: 0.8610 (tptm) REVERT: TO 12 LYS cc_start: 0.9199 (ttmt) cc_final: 0.8906 (mptt) REVERT: TO 13 ASP cc_start: 0.8765 (m-30) cc_final: 0.7694 (m-30) REVERT: TO 17 LYS cc_start: 0.9181 (mtpp) cc_final: 0.8862 (mtpp) REVERT: TP 6 LYS cc_start: 0.9165 (ptpt) cc_final: 0.8818 (ptmm) REVERT: TP 12 LYS cc_start: 0.9269 (tmmt) cc_final: 0.8949 (tmmt) REVERT: TP 13 ASP cc_start: 0.8727 (t0) cc_final: 0.8392 (t0) REVERT: TR 12 LYS cc_start: 0.9139 (tttm) cc_final: 0.8723 (tptt) REVERT: TS 13 ASP cc_start: 0.8531 (m-30) cc_final: 0.8264 (m-30) REVERT: TT 6 LYS cc_start: 0.9165 (ptpt) cc_final: 0.8872 (ptmt) REVERT: TT 12 LYS cc_start: 0.9411 (tmmt) cc_final: 0.9175 (tmmt) REVERT: TU 19 LEU cc_start: 0.8576 (pp) cc_final: 0.8230 (mt) REVERT: TV 12 LYS cc_start: 0.9097 (tttm) cc_final: 0.8672 (tppt) REVERT: TW 9 LYS cc_start: 0.9152 (tptt) cc_final: 0.8889 (tptm) REVERT: TW 12 LYS cc_start: 0.9115 (ttmt) cc_final: 0.8812 (mptt) REVERT: TW 13 ASP cc_start: 0.8689 (m-30) cc_final: 0.8100 (m-30) REVERT: TX 1 MET cc_start: 0.7008 (mtm) cc_final: 0.6779 (mtm) REVERT: TZ 2 GLU cc_start: 0.8385 (pm20) cc_final: 0.8116 (pm20) REVERT: TZ 12 LYS cc_start: 0.9130 (tttm) cc_final: 0.8826 (tptt) REVERT: T0 9 LYS cc_start: 0.9159 (tptm) cc_final: 0.8862 (tptm) REVERT: T0 12 LYS cc_start: 0.9087 (ttmt) cc_final: 0.8729 (mptt) REVERT: T4 9 LYS cc_start: 0.9308 (tptt) cc_final: 0.8919 (tptp) REVERT: T4 13 ASP cc_start: 0.8591 (m-30) cc_final: 0.7708 (m-30) REVERT: T5 12 LYS cc_start: 0.9363 (tmmt) cc_final: 0.9023 (tmmt) REVERT: T5 21 ASN cc_start: 0.6997 (p0) cc_final: 0.6649 (p0) REVERT: T7 12 LYS cc_start: 0.9208 (tttm) cc_final: 0.8762 (tppt) REVERT: T8 2 GLU cc_start: 0.8692 (tp30) cc_final: 0.8371 (tp30) REVERT: T8 9 LYS cc_start: 0.9146 (tptt) cc_final: 0.8717 (tptm) REVERT: T8 12 LYS cc_start: 0.9136 (ttmt) cc_final: 0.8778 (mptt) REVERT: T8 13 ASP cc_start: 0.8515 (m-30) cc_final: 0.7645 (m-30) REVERT: UB 9 LYS cc_start: 0.9128 (tppt) cc_final: 0.8868 (ttmm) REVERT: UB 12 LYS cc_start: 0.9066 (tttm) cc_final: 0.8833 (tppt) REVERT: UB 13 ASP cc_start: 0.8956 (t0) cc_final: 0.8518 (t0) REVERT: UC 9 LYS cc_start: 0.8984 (tptm) cc_final: 0.8482 (tptm) REVERT: UC 12 LYS cc_start: 0.8960 (ttmt) cc_final: 0.8563 (mptt) REVERT: UC 18 PHE cc_start: 0.8753 (OUTLIER) cc_final: 0.8119 (t80) REVERT: UE 2 GLU cc_start: 0.8505 (tp30) cc_final: 0.8018 (tp30) REVERT: UG 2 GLU cc_start: 0.8894 (tp30) cc_final: 0.8479 (tp30) REVERT: UG 12 LYS cc_start: 0.9110 (ttmt) cc_final: 0.8786 (mptt) REVERT: UH 6 LYS cc_start: 0.9262 (ptmt) cc_final: 0.8898 (ptpp) REVERT: UK 9 LYS cc_start: 0.9087 (tptt) cc_final: 0.8687 (tptp) REVERT: UK 13 ASP cc_start: 0.8660 (m-30) cc_final: 0.7570 (m-30) REVERT: UL 13 ASP cc_start: 0.8815 (t0) cc_final: 0.8558 (t0) REVERT: UL 21 ASN cc_start: 0.7691 (p0) cc_final: 0.7264 (p0) REVERT: UO 1 MET cc_start: 0.4531 (OUTLIER) cc_final: 0.3665 (mmt) REVERT: UO 9 LYS cc_start: 0.9226 (tptm) cc_final: 0.9016 (tptt) REVERT: UO 13 ASP cc_start: 0.8669 (m-30) cc_final: 0.8153 (m-30) REVERT: UP 12 LYS cc_start: 0.9405 (tmmt) cc_final: 0.9099 (tmmt) REVERT: UQ 1 MET cc_start: 0.7260 (ttp) cc_final: 0.6973 (ttm) REVERT: US 9 LYS cc_start: 0.9169 (tptt) cc_final: 0.8757 (tptm) REVERT: US 13 ASP cc_start: 0.8594 (m-30) cc_final: 0.7758 (m-30) REVERT: UT 6 LYS cc_start: 0.9242 (ptmt) cc_final: 0.8999 (ptpp) REVERT: UU 9 LYS cc_start: 0.9236 (tppt) cc_final: 0.8998 (tppt) outliers start: 656 outliers final: 462 residues processed: 5791 average time/residue: 1.3267 time to fit residues: 13196.8818 Evaluate side-chains 5732 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 530 poor density : 5202 time to evaluate : 13.399 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain C residue 2 GLU Chi-restraints excluded: chain C residue 4 VAL Chi-restraints excluded: chain E residue 15 LEU Chi-restraints excluded: chain F residue 15 LEU Chi-restraints excluded: chain G residue 4 VAL Chi-restraints excluded: chain L residue 15 LEU Chi-restraints excluded: chain M residue 18 PHE Chi-restraints excluded: chain O residue 4 VAL Chi-restraints excluded: chain Q residue 18 PHE Chi-restraints excluded: chain R residue 11 PHE Chi-restraints excluded: chain S residue 2 GLU Chi-restraints excluded: chain S residue 4 VAL Chi-restraints excluded: chain T residue 14 LEU Chi-restraints excluded: chain W residue 4 VAL Chi-restraints excluded: chain X residue 17 LYS Chi-restraints excluded: chain Y residue 15 LEU Chi-restraints excluded: chain Y residue 19 LEU Chi-restraints excluded: chain Z residue 22 ASN Chi-restraints excluded: chain 0 residue 4 VAL Chi-restraints excluded: chain 0 residue 19 LEU Chi-restraints excluded: chain 3 residue 11 PHE Chi-restraints excluded: chain 4 residue 2 GLU Chi-restraints excluded: chain 4 residue 4 VAL Chi-restraints excluded: chain 5 residue 14 LEU Chi-restraints excluded: chain 6 residue 15 LEU Chi-restraints excluded: chain 6 residue 19 LEU Chi-restraints excluded: chain 7 residue 15 LEU Chi-restraints excluded: chain 7 residue 22 ASN Chi-restraints excluded: chain 8 residue 4 VAL Chi-restraints excluded: chain 9 residue 14 LEU Chi-restraints excluded: chain b residue 11 PHE Chi-restraints excluded: chain d residue 14 LEU Chi-restraints excluded: chain d residue 15 LEU Chi-restraints excluded: chain e residue 11 PHE Chi-restraints excluded: chain e residue 15 LEU Chi-restraints excluded: chain h residue 14 LEU Chi-restraints excluded: chain k residue 2 GLU Chi-restraints excluded: chain m residue 4 VAL Chi-restraints excluded: chain m residue 15 LEU Chi-restraints excluded: chain o residue 2 GLU Chi-restraints excluded: chain s residue 2 GLU Chi-restraints excluded: chain s residue 4 VAL Chi-restraints excluded: chain v residue 3 PHE Chi-restraints excluded: chain v residue 11 PHE Chi-restraints excluded: chain w residue 4 VAL Chi-restraints excluded: chain z residue 15 LEU Chi-restraints excluded: chain AA residue 4 VAL Chi-restraints excluded: chain AB residue 9 LYS Chi-restraints excluded: chain AB residue 14 LEU Chi-restraints excluded: chain AC residue 13 ASP Chi-restraints excluded: chain AE residue 4 VAL Chi-restraints excluded: chain AI residue 4 VAL Chi-restraints excluded: chain AL residue 3 PHE Chi-restraints excluded: chain AM residue 4 VAL Chi-restraints excluded: chain AQ residue 4 VAL Chi-restraints excluded: chain AT residue 3 PHE Chi-restraints excluded: chain AU residue 4 VAL Chi-restraints excluded: chain AU residue 7 LEU Chi-restraints excluded: chain AV residue 14 LEU Chi-restraints excluded: chain AW residue 15 LEU Chi-restraints excluded: chain AW residue 18 PHE Chi-restraints excluded: chain AX residue 15 LEU Chi-restraints excluded: chain AX residue 21 ASN Chi-restraints excluded: chain AY residue 4 VAL Chi-restraints excluded: chain AZ residue 14 LEU Chi-restraints excluded: chain A0 residue 15 LEU Chi-restraints excluded: chain A0 residue 19 LEU Chi-restraints excluded: chain A4 residue 15 LEU Chi-restraints excluded: chain A5 residue 11 PHE Chi-restraints excluded: chain A6 residue 4 VAL Chi-restraints excluded: chain A9 residue 15 LEU Chi-restraints excluded: chain BA residue 4 VAL Chi-restraints excluded: chain BA residue 19 LEU Chi-restraints excluded: chain BC residue 15 LEU Chi-restraints excluded: chain BE residue 4 VAL Chi-restraints excluded: chain BF residue 14 LEU Chi-restraints excluded: chain BG residue 14 LEU Chi-restraints excluded: chain BH residue 11 PHE Chi-restraints excluded: chain BI residue 4 VAL Chi-restraints excluded: chain BJ residue 14 LEU Chi-restraints excluded: chain BM residue 4 VAL Chi-restraints excluded: chain BM residue 15 LEU Chi-restraints excluded: chain BN residue 14 LEU Chi-restraints excluded: chain BO residue 18 PHE Chi-restraints excluded: chain BQ residue 4 VAL Chi-restraints excluded: chain BR residue 14 LEU Chi-restraints excluded: chain BT residue 22 ASN Chi-restraints excluded: chain BU residue 4 VAL Chi-restraints excluded: chain BX residue 9 LYS Chi-restraints excluded: chain BY residue 2 GLU Chi-restraints excluded: chain BY residue 4 VAL Chi-restraints excluded: chain B3 residue 15 LEU Chi-restraints excluded: chain B6 residue 1 MET Chi-restraints excluded: chain B6 residue 4 VAL Chi-restraints excluded: chain B9 residue 3 PHE Chi-restraints excluded: chain B9 residue 11 PHE Chi-restraints excluded: chain CA residue 4 VAL Chi-restraints excluded: chain CC residue 19 LEU Chi-restraints excluded: chain CD residue 22 ASN Chi-restraints excluded: chain CE residue 4 VAL Chi-restraints excluded: chain CG residue 18 PHE Chi-restraints excluded: chain CH residue 3 PHE Chi-restraints excluded: chain CI residue 4 VAL Chi-restraints excluded: chain CL residue 11 PHE Chi-restraints excluded: chain CL residue 22 ASN Chi-restraints excluded: chain CQ residue 4 VAL Chi-restraints excluded: chain CR residue 14 LEU Chi-restraints excluded: chain CR residue 19 LEU Chi-restraints excluded: chain CU residue 1 MET Chi-restraints excluded: chain CY residue 4 VAL Chi-restraints excluded: chain CZ residue 14 LEU Chi-restraints excluded: chain CZ residue 19 LEU Chi-restraints excluded: chain C1 residue 11 PHE Chi-restraints excluded: chain C2 residue 4 VAL Chi-restraints excluded: chain C4 residue 15 LEU Chi-restraints excluded: chain C5 residue 3 PHE Chi-restraints excluded: chain C9 residue 11 PHE Chi-restraints excluded: chain DA residue 4 VAL Chi-restraints excluded: chain DA residue 14 LEU Chi-restraints excluded: chain DD residue 11 PHE Chi-restraints excluded: chain DE residue 4 VAL Chi-restraints excluded: chain DH residue 12 LYS Chi-restraints excluded: chain DI residue 4 VAL Chi-restraints excluded: chain DJ residue 14 LEU Chi-restraints excluded: chain DK residue 15 LEU Chi-restraints excluded: chain DL residue 3 PHE Chi-restraints excluded: chain DL residue 11 PHE Chi-restraints excluded: chain DL residue 12 LYS Chi-restraints excluded: chain DM residue 4 VAL Chi-restraints excluded: chain DN residue 14 LEU Chi-restraints excluded: chain DQ residue 4 VAL Chi-restraints excluded: chain DT residue 3 PHE Chi-restraints excluded: chain DT residue 11 PHE Chi-restraints excluded: chain DT residue 22 ASN Chi-restraints excluded: chain DU residue 4 VAL Chi-restraints excluded: chain DV residue 14 LEU Chi-restraints excluded: chain D0 residue 18 PHE Chi-restraints excluded: chain D1 residue 22 ASN Chi-restraints excluded: chain D2 residue 4 VAL Chi-restraints excluded: chain D2 residue 13 ASP Chi-restraints excluded: chain D3 residue 14 LEU Chi-restraints excluded: chain D5 residue 11 PHE Chi-restraints excluded: chain D5 residue 14 LEU Chi-restraints excluded: chain D5 residue 21 ASN Chi-restraints excluded: chain D6 residue 4 VAL Chi-restraints excluded: chain D6 residue 13 ASP Chi-restraints excluded: chain EA residue 4 VAL Chi-restraints excluded: chain ED residue 11 PHE Chi-restraints excluded: chain ED residue 14 LEU Chi-restraints excluded: chain EE residue 4 VAL Chi-restraints excluded: chain EF residue 14 LEU Chi-restraints excluded: chain EI residue 4 VAL Chi-restraints excluded: chain EL residue 7 LEU Chi-restraints excluded: chain EL residue 11 PHE Chi-restraints excluded: chain EM residue 4 VAL Chi-restraints excluded: chain EQ residue 1 MET Chi-restraints excluded: chain ER residue 14 LEU Chi-restraints excluded: chain ET residue 1 MET Chi-restraints excluded: chain EU residue 14 LEU Chi-restraints excluded: chain EV residue 14 LEU Chi-restraints excluded: chain EV residue 19 LEU Chi-restraints excluded: chain EY residue 4 VAL Chi-restraints excluded: chain EY residue 13 ASP Chi-restraints excluded: chain EZ residue 14 LEU Chi-restraints excluded: chain E1 residue 11 PHE Chi-restraints excluded: chain E2 residue 4 VAL Chi-restraints excluded: chain E6 residue 4 VAL Chi-restraints excluded: chain E9 residue 11 PHE Chi-restraints excluded: chain FA residue 4 VAL Chi-restraints excluded: chain FC residue 15 LEU Chi-restraints excluded: chain FC residue 19 LEU Chi-restraints excluded: chain FD residue 11 PHE Chi-restraints excluded: chain FE residue 4 VAL Chi-restraints excluded: chain FH residue 11 PHE Chi-restraints excluded: chain FI residue 4 VAL Chi-restraints excluded: chain FK residue 15 LEU Chi-restraints excluded: chain FM residue 4 VAL Chi-restraints excluded: chain FM residue 13 ASP Chi-restraints excluded: chain FN residue 14 LEU Chi-restraints excluded: chain FO residue 15 LEU Chi-restraints excluded: chain FP residue 11 PHE Chi-restraints excluded: chain FP residue 22 ASN Chi-restraints excluded: chain FQ residue 4 VAL Chi-restraints excluded: chain FS residue 15 LEU Chi-restraints excluded: chain FU residue 4 VAL Chi-restraints excluded: chain FW residue 15 LEU Chi-restraints excluded: chain FW residue 18 PHE Chi-restraints excluded: chain FY residue 4 VAL Chi-restraints excluded: chain FZ residue 14 LEU Chi-restraints excluded: chain F0 residue 18 PHE Chi-restraints excluded: chain F4 residue 15 LEU Chi-restraints excluded: chain F7 residue 14 LEU Chi-restraints excluded: chain GA residue 1 MET Chi-restraints excluded: chain GE residue 4 VAL Chi-restraints excluded: chain GG residue 17 LYS Chi-restraints excluded: chain GH residue 21 ASN Chi-restraints excluded: chain GN residue 14 LEU Chi-restraints excluded: chain GQ residue 7 LEU Chi-restraints excluded: chain GS residue 13 ASP Chi-restraints excluded: chain GT residue 11 PHE Chi-restraints excluded: chain GT residue 14 LEU Chi-restraints excluded: chain GU residue 4 VAL Chi-restraints excluded: chain GY residue 4 VAL Chi-restraints excluded: chain GZ residue 14 LEU Chi-restraints excluded: chain G0 residue 13 ASP Chi-restraints excluded: chain G0 residue 18 PHE Chi-restraints excluded: chain G1 residue 3 PHE Chi-restraints excluded: chain G1 residue 15 LEU Chi-restraints excluded: chain G2 residue 4 VAL Chi-restraints excluded: chain G3 residue 14 LEU Chi-restraints excluded: chain G4 residue 18 PHE Chi-restraints excluded: chain G6 residue 4 VAL Chi-restraints excluded: chain G6 residue 13 ASP Chi-restraints excluded: chain G7 residue 14 LEU Chi-restraints excluded: chain G9 residue 21 ASN Chi-restraints excluded: chain HA residue 4 VAL Chi-restraints excluded: chain HA residue 13 ASP Chi-restraints excluded: chain HB residue 14 LEU Chi-restraints excluded: chain HC residue 15 LEU Chi-restraints excluded: chain HE residue 4 VAL Chi-restraints excluded: chain HH residue 11 PHE Chi-restraints excluded: chain HI residue 4 VAL Chi-restraints excluded: chain HL residue 3 PHE Chi-restraints excluded: chain HL residue 11 PHE Chi-restraints excluded: chain HM residue 4 VAL Chi-restraints excluded: chain HO residue 15 LEU Chi-restraints excluded: chain HP residue 22 ASN Chi-restraints excluded: chain HQ residue 4 VAL Chi-restraints excluded: chain HT residue 11 PHE Chi-restraints excluded: chain HW residue 15 LEU Chi-restraints excluded: chain HX residue 11 PHE Chi-restraints excluded: chain HX residue 22 ASN Chi-restraints excluded: chain HY residue 4 VAL Chi-restraints excluded: chain HZ residue 15 LEU Chi-restraints excluded: chain H0 residue 15 LEU Chi-restraints excluded: chain H0 residue 18 PHE Chi-restraints excluded: chain H3 residue 14 LEU Chi-restraints excluded: chain H5 residue 21 ASN Chi-restraints excluded: chain H6 residue 4 VAL Chi-restraints excluded: chain H9 residue 14 LEU Chi-restraints excluded: chain H9 residue 21 ASN Chi-restraints excluded: chain IA residue 1 MET Chi-restraints excluded: chain IA residue 4 VAL Chi-restraints excluded: chain IC residue 4 VAL Chi-restraints excluded: chain IC residue 15 LEU Chi-restraints excluded: chain IC residue 18 PHE Chi-restraints excluded: chain IF residue 14 LEU Chi-restraints excluded: chain IH residue 7 LEU Chi-restraints excluded: chain II residue 4 VAL Chi-restraints excluded: chain IK residue 4 VAL Chi-restraints excluded: chain IK residue 15 LEU Chi-restraints excluded: chain IL residue 15 LEU Chi-restraints excluded: chain IM residue 4 VAL Chi-restraints excluded: chain IM residue 13 ASP Chi-restraints excluded: chain IN residue 14 LEU Chi-restraints excluded: chain IP residue 3 PHE Chi-restraints excluded: chain IP residue 11 PHE Chi-restraints excluded: chain IQ residue 4 VAL Chi-restraints excluded: chain IR residue 14 LEU Chi-restraints excluded: chain IU residue 4 VAL Chi-restraints excluded: chain IV residue 14 LEU Chi-restraints excluded: chain IY residue 1 MET Chi-restraints excluded: chain I0 residue 15 LEU Chi-restraints excluded: chain I2 residue 4 VAL Chi-restraints excluded: chain I6 residue 4 VAL Chi-restraints excluded: chain I7 residue 14 LEU Chi-restraints excluded: chain JB residue 14 LEU Chi-restraints excluded: chain JD residue 22 ASN Chi-restraints excluded: chain JF residue 14 LEU Chi-restraints excluded: chain JG residue 13 ASP Chi-restraints excluded: chain JG residue 15 LEU Chi-restraints excluded: chain JI residue 4 VAL Chi-restraints excluded: chain JK residue 18 PHE Chi-restraints excluded: chain JL residue 11 PHE Chi-restraints excluded: chain JO residue 15 LEU Chi-restraints excluded: chain JQ residue 4 VAL Chi-restraints excluded: chain JS residue 15 LEU Chi-restraints excluded: chain JU residue 4 VAL Chi-restraints excluded: chain JU residue 13 ASP Chi-restraints excluded: chain JV residue 14 LEU Chi-restraints excluded: chain JX residue 12 LYS Chi-restraints excluded: chain JX residue 22 ASN Chi-restraints excluded: chain JY residue 4 VAL Chi-restraints excluded: chain JZ residue 14 LEU Chi-restraints excluded: chain J1 residue 11 PHE Chi-restraints excluded: chain J1 residue 13 ASP Chi-restraints excluded: chain J2 residue 4 VAL Chi-restraints excluded: chain J3 residue 14 LEU Chi-restraints excluded: chain J5 residue 12 LYS Chi-restraints excluded: chain J7 residue 14 LEU Chi-restraints excluded: chain J8 residue 19 LEU Chi-restraints excluded: chain J9 residue 15 LEU Chi-restraints excluded: chain KA residue 4 VAL Chi-restraints excluded: chain KE residue 4 VAL Chi-restraints excluded: chain KH residue 11 PHE Chi-restraints excluded: chain KH residue 15 LEU Chi-restraints excluded: chain KI residue 4 VAL Chi-restraints excluded: chain KM residue 4 VAL Chi-restraints excluded: chain KM residue 14 LEU Chi-restraints excluded: chain KO residue 15 LEU Chi-restraints excluded: chain KO residue 18 PHE Chi-restraints excluded: chain KP residue 22 ASN Chi-restraints excluded: chain KQ residue 4 VAL Chi-restraints excluded: chain KR residue 14 LEU Chi-restraints excluded: chain KU residue 4 VAL Chi-restraints excluded: chain K4 residue 15 LEU Chi-restraints excluded: chain K9 residue 11 PHE Chi-restraints excluded: chain LA residue 4 VAL Chi-restraints excluded: chain LA residue 12 LYS Chi-restraints excluded: chain LB residue 14 LEU Chi-restraints excluded: chain LD residue 14 LEU Chi-restraints excluded: chain LG residue 15 LEU Chi-restraints excluded: chain LH residue 21 ASN Chi-restraints excluded: chain LH residue 22 ASN Chi-restraints excluded: chain LI residue 4 VAL Chi-restraints excluded: chain LL residue 11 PHE Chi-restraints excluded: chain LM residue 4 VAL Chi-restraints excluded: chain LP residue 14 LEU Chi-restraints excluded: chain LQ residue 4 VAL Chi-restraints excluded: chain LT residue 3 PHE Chi-restraints excluded: chain LU residue 4 VAL Chi-restraints excluded: chain LU residue 15 LEU Chi-restraints excluded: chain LV residue 14 LEU Chi-restraints excluded: chain LZ residue 15 LEU Chi-restraints excluded: chain L0 residue 19 LEU Chi-restraints excluded: chain L2 residue 4 VAL Chi-restraints excluded: chain L6 residue 4 VAL Chi-restraints excluded: chain MA residue 4 VAL Chi-restraints excluded: chain MG residue 1 MET Chi-restraints excluded: chain MI residue 4 VAL Chi-restraints excluded: chain MK residue 18 PHE Chi-restraints excluded: chain ML residue 22 ASN Chi-restraints excluded: chain MQ residue 4 VAL Chi-restraints excluded: chain MS residue 15 LEU Chi-restraints excluded: chain MV residue 14 LEU Chi-restraints excluded: chain MX residue 11 PHE Chi-restraints excluded: chain MX residue 13 ASP Chi-restraints excluded: chain MY residue 4 VAL Chi-restraints excluded: chain M0 residue 15 LEU Chi-restraints excluded: chain M1 residue 13 ASP Chi-restraints excluded: chain M2 residue 4 VAL Chi-restraints excluded: chain M5 residue 3 PHE Chi-restraints excluded: chain M6 residue 14 LEU Chi-restraints excluded: chain M8 residue 14 LEU Chi-restraints excluded: chain M9 residue 3 PHE Chi-restraints excluded: chain NA residue 4 VAL Chi-restraints excluded: chain NF residue 14 LEU Chi-restraints excluded: chain NH residue 3 PHE Chi-restraints excluded: chain NI residue 4 VAL Chi-restraints excluded: chain NK residue 15 LEU Chi-restraints excluded: chain NL residue 11 PHE Chi-restraints excluded: chain NL residue 12 LYS Chi-restraints excluded: chain NM residue 2 GLU Chi-restraints excluded: chain NM residue 4 VAL Chi-restraints excluded: chain NQ residue 4 VAL Chi-restraints excluded: chain NR residue 14 LEU Chi-restraints excluded: chain NS residue 15 LEU Chi-restraints excluded: chain NT residue 11 PHE Chi-restraints excluded: chain NU residue 4 VAL Chi-restraints excluded: chain N0 residue 15 LEU Chi-restraints excluded: chain N1 residue 11 PHE Chi-restraints excluded: chain N2 residue 4 VAL Chi-restraints excluded: chain N3 residue 14 LEU Chi-restraints excluded: chain N4 residue 15 LEU Chi-restraints excluded: chain N5 residue 13 ASP Chi-restraints excluded: chain N6 residue 4 VAL Chi-restraints excluded: chain N8 residue 15 LEU Chi-restraints excluded: chain N9 residue 3 PHE Chi-restraints excluded: chain N9 residue 11 PHE Chi-restraints excluded: chain N9 residue 21 ASN Chi-restraints excluded: chain OA residue 4 VAL Chi-restraints excluded: chain OC residue 18 PHE Chi-restraints excluded: chain OD residue 13 ASP Chi-restraints excluded: chain OF residue 14 LEU Chi-restraints excluded: chain OG residue 15 LEU Chi-restraints excluded: chain OG residue 18 PHE Chi-restraints excluded: chain OH residue 3 PHE Chi-restraints excluded: chain OH residue 22 ASN Chi-restraints excluded: chain OI residue 4 VAL Chi-restraints excluded: chain OJ residue 12 LYS Chi-restraints excluded: chain OJ residue 14 LEU Chi-restraints excluded: chain OL residue 11 PHE Chi-restraints excluded: chain OM residue 4 VAL Chi-restraints excluded: chain OQ residue 4 VAL Chi-restraints excluded: chain OT residue 15 LEU Chi-restraints excluded: chain OU residue 4 VAL Chi-restraints excluded: chain OX residue 1 MET Chi-restraints excluded: chain OX residue 11 PHE Chi-restraints excluded: chain OY residue 4 VAL Chi-restraints excluded: chain O0 residue 13 ASP Chi-restraints excluded: chain O1 residue 15 LEU Chi-restraints excluded: chain O2 residue 4 VAL Chi-restraints excluded: chain O3 residue 14 LEU Chi-restraints excluded: chain O4 residue 1 MET Chi-restraints excluded: chain O7 residue 14 LEU Chi-restraints excluded: chain O8 residue 15 LEU Chi-restraints excluded: chain O9 residue 3 PHE Chi-restraints excluded: chain PA residue 4 VAL Chi-restraints excluded: chain PB residue 14 LEU Chi-restraints excluded: chain PD residue 11 PHE Chi-restraints excluded: chain PD residue 22 ASN Chi-restraints excluded: chain PE residue 4 VAL Chi-restraints excluded: chain PF residue 14 LEU Chi-restraints excluded: chain PI residue 4 VAL Chi-restraints excluded: chain PJ residue 14 LEU Chi-restraints excluded: chain PL residue 11 PHE Chi-restraints excluded: chain PM residue 4 VAL Chi-restraints excluded: chain PQ residue 4 VAL Chi-restraints excluded: chain PS residue 4 VAL Chi-restraints excluded: chain PS residue 18 PHE Chi-restraints excluded: chain PT residue 11 PHE Chi-restraints excluded: chain PU residue 1 MET Chi-restraints excluded: chain PU residue 13 ASP Chi-restraints excluded: chain PW residue 15 LEU Chi-restraints excluded: chain PX residue 11 PHE Chi-restraints excluded: chain PY residue 4 VAL Chi-restraints excluded: chain PZ residue 14 LEU Chi-restraints excluded: chain P0 residue 18 PHE Chi-restraints excluded: chain P1 residue 15 LEU Chi-restraints excluded: chain P2 residue 4 VAL Chi-restraints excluded: chain P6 residue 15 LEU Chi-restraints excluded: chain QA residue 4 VAL Chi-restraints excluded: chain QA residue 13 ASP Chi-restraints excluded: chain QB residue 14 LEU Chi-restraints excluded: chain QC residue 15 LEU Chi-restraints excluded: chain QE residue 4 VAL Chi-restraints excluded: chain QJ residue 14 LEU Chi-restraints excluded: chain QN residue 14 LEU Chi-restraints excluded: chain QP residue 15 LEU Chi-restraints excluded: chain QQ residue 4 VAL Chi-restraints excluded: chain QR residue 14 LEU Chi-restraints excluded: chain QR residue 15 LEU Chi-restraints excluded: chain QU residue 4 VAL Chi-restraints excluded: chain QV residue 14 LEU Chi-restraints excluded: chain QW residue 1 MET Chi-restraints excluded: chain QX residue 3 PHE Chi-restraints excluded: chain QX residue 22 ASN Chi-restraints excluded: chain QY residue 4 VAL Chi-restraints excluded: chain QY residue 14 LEU Chi-restraints excluded: chain Q2 residue 4 VAL Chi-restraints excluded: chain Q3 residue 15 LEU Chi-restraints excluded: chain Q4 residue 15 LEU Chi-restraints excluded: chain Q9 residue 11 PHE Chi-restraints excluded: chain RA residue 1 MET Chi-restraints excluded: chain RA residue 4 VAL Chi-restraints excluded: chain RA residue 13 ASP Chi-restraints excluded: chain RD residue 15 LEU Chi-restraints excluded: chain RI residue 4 VAL Chi-restraints excluded: chain RJ residue 14 LEU Chi-restraints excluded: chain RK residue 15 LEU Chi-restraints excluded: chain RK residue 18 PHE Chi-restraints excluded: chain RM residue 19 LEU Chi-restraints excluded: chain RQ residue 4 VAL Chi-restraints excluded: chain RQ residue 13 ASP Chi-restraints excluded: chain RS residue 15 LEU Chi-restraints excluded: chain RV residue 4 VAL Chi-restraints excluded: chain RW residue 1 MET Chi-restraints excluded: chain RW residue 15 LEU Chi-restraints excluded: chain RX residue 11 PHE Chi-restraints excluded: chain RY residue 4 VAL Chi-restraints excluded: chain RZ residue 14 LEU Chi-restraints excluded: chain R2 residue 4 VAL Chi-restraints excluded: chain R3 residue 14 LEU Chi-restraints excluded: chain R4 residue 13 ASP Chi-restraints excluded: chain R4 residue 15 LEU Chi-restraints excluded: chain R5 residue 11 PHE Chi-restraints excluded: chain R6 residue 4 VAL Chi-restraints excluded: chain R8 residue 13 ASP Chi-restraints excluded: chain SB residue 14 LEU Chi-restraints excluded: chain SD residue 12 LYS Chi-restraints excluded: chain SE residue 1 MET Chi-restraints excluded: chain SE residue 4 VAL Chi-restraints excluded: chain SF residue 14 LEU Chi-restraints excluded: chain SG residue 18 PHE Chi-restraints excluded: chain SH residue 3 PHE Chi-restraints excluded: chain SI residue 4 VAL Chi-restraints excluded: chain SI residue 13 ASP Chi-restraints excluded: chain SK residue 15 LEU Chi-restraints excluded: chain SM residue 4 VAL Chi-restraints excluded: chain SO residue 15 LEU Chi-restraints excluded: chain SP residue 11 PHE Chi-restraints excluded: chain SS residue 19 LEU Chi-restraints excluded: chain ST residue 11 PHE Chi-restraints excluded: chain SW residue 18 PHE Chi-restraints excluded: chain SY residue 4 VAL Chi-restraints excluded: chain S1 residue 3 PHE Chi-restraints excluded: chain S1 residue 22 ASN Chi-restraints excluded: chain S2 residue 4 VAL Chi-restraints excluded: chain S4 residue 15 LEU Chi-restraints excluded: chain S4 residue 18 PHE Chi-restraints excluded: chain S6 residue 18 PHE Chi-restraints excluded: chain S7 residue 14 LEU Chi-restraints excluded: chain S8 residue 15 LEU Chi-restraints excluded: chain S9 residue 22 ASN Chi-restraints excluded: chain TA residue 4 VAL Chi-restraints excluded: chain TA residue 13 ASP Chi-restraints excluded: chain TB residue 14 LEU Chi-restraints excluded: chain TE residue 4 VAL Chi-restraints excluded: chain TJ residue 11 PHE Chi-restraints excluded: chain TM residue 4 VAL Chi-restraints excluded: chain TN residue 14 LEU Chi-restraints excluded: chain TQ residue 4 VAL Chi-restraints excluded: chain TQ residue 13 ASP Chi-restraints excluded: chain TR residue 14 LEU Chi-restraints excluded: chain TT residue 3 PHE Chi-restraints excluded: chain TU residue 4 VAL Chi-restraints excluded: chain TV residue 14 LEU Chi-restraints excluded: chain TX residue 11 PHE Chi-restraints excluded: chain TX residue 22 ASN Chi-restraints excluded: chain TY residue 1 MET Chi-restraints excluded: chain TY residue 4 VAL Chi-restraints excluded: chain TY residue 19 LEU Chi-restraints excluded: chain TZ residue 14 LEU Chi-restraints excluded: chain T2 residue 4 VAL Chi-restraints excluded: chain T3 residue 11 PHE Chi-restraints excluded: chain T5 residue 11 PHE Chi-restraints excluded: chain T8 residue 15 LEU Chi-restraints excluded: chain T9 residue 22 ASN Chi-restraints excluded: chain UA residue 4 VAL Chi-restraints excluded: chain UB residue 11 PHE Chi-restraints excluded: chain UC residue 18 PHE Chi-restraints excluded: chain UE residue 4 VAL Chi-restraints excluded: chain UH residue 11 PHE Chi-restraints excluded: chain UI residue 4 VAL Chi-restraints excluded: chain UO residue 1 MET Chi-restraints excluded: chain UP residue 11 PHE Chi-restraints excluded: chain UP residue 22 ASN Chi-restraints excluded: chain UQ residue 4 VAL Chi-restraints excluded: chain UT residue 11 PHE Chi-restraints excluded: chain UU residue 4 VAL Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1608 random chunks: chunk 1409 optimal weight: 2.9990 chunk 1484 optimal weight: 10.0000 chunk 1354 optimal weight: 0.9980 chunk 1444 optimal weight: 6.9990 chunk 869 optimal weight: 3.9990 chunk 629 optimal weight: 0.0270 chunk 1134 optimal weight: 10.0000 chunk 443 optimal weight: 5.9990 chunk 1305 optimal weight: 4.9990 chunk 1365 optimal weight: 7.9990 chunk 1439 optimal weight: 10.0000 overall best weight: 2.6044 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** E 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** CL 22 ASN ** CO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ET 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ML 22 ASN ** MS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** MX 22 ASN ** M4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** PD 22 ASN ** PK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q9 22 ASN ** RD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8505 moved from start: 0.4338 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.043 146328 Z= 0.194 Angle : 0.775 17.459 191955 Z= 0.345 Chirality : 0.035 0.229 19497 Planarity : 0.002 0.020 22914 Dihedral : 3.652 24.138 16281 Min Nonbonded Distance : 2.156 Molprobity Statistics. All-atom Clashscore : 10.34 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.73 % Favored : 98.27 % Rotamer: Outliers : 3.69 % Allowed : 33.71 % Favored : 62.59 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.76 (0.07), residues: 15477 helix: 0.82 (0.04), residues: 14677 sheet: None (None), residues: 0 loop : -3.88 (0.05), residues: 800 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.036 0.001 PHEUD 3 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6058 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 542 poor density : 5516 time to evaluate : 13.408 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 6 LYS cc_start: 0.9024 (ttmm) cc_final: 0.8198 (tmtt) REVERT: A 9 LYS cc_start: 0.9281 (tptm) cc_final: 0.8586 (tptp) REVERT: A 13 ASP cc_start: 0.8774 (m-30) cc_final: 0.7977 (m-30) REVERT: A 17 LYS cc_start: 0.9271 (mtpp) cc_final: 0.8793 (pptt) REVERT: B 6 LYS cc_start: 0.8994 (ptmt) cc_final: 0.8255 (tmtt) REVERT: B 17 LYS cc_start: 0.8638 (ttmm) cc_final: 0.7494 (tmtt) REVERT: C 2 GLU cc_start: 0.7526 (OUTLIER) cc_final: 0.7270 (pp20) REVERT: D 1 MET cc_start: 0.6942 (ptt) cc_final: 0.4221 (mmt) REVERT: E 6 LYS cc_start: 0.8922 (ttmm) cc_final: 0.7984 (tmtt) REVERT: E 13 ASP cc_start: 0.8828 (m-30) cc_final: 0.8473 (m-30) REVERT: E 17 LYS cc_start: 0.9302 (mtpp) cc_final: 0.8624 (pttt) REVERT: F 6 LYS cc_start: 0.8821 (ptmt) cc_final: 0.8334 (pptt) REVERT: F 15 LEU cc_start: 0.8842 (OUTLIER) cc_final: 0.8524 (tp) REVERT: F 21 ASN cc_start: 0.7463 (p0) cc_final: 0.7181 (p0) REVERT: G 1 MET cc_start: 0.7974 (tmm) cc_final: 0.7470 (tmm) REVERT: H 1 MET cc_start: 0.7095 (ptt) cc_final: 0.6710 (ptt) REVERT: I 6 LYS cc_start: 0.9007 (ttmm) cc_final: 0.8261 (tmtt) REVERT: I 9 LYS cc_start: 0.9173 (tptt) cc_final: 0.8751 (tptt) REVERT: I 13 ASP cc_start: 0.8850 (m-30) cc_final: 0.8123 (m-30) REVERT: I 17 LYS cc_start: 0.9191 (mtpp) cc_final: 0.8676 (pttt) REVERT: J 6 LYS cc_start: 0.8504 (ptmt) cc_final: 0.8152 (pttp) REVERT: J 13 ASP cc_start: 0.8763 (t0) cc_final: 0.8552 (t0) REVERT: J 17 LYS cc_start: 0.8819 (ttmm) cc_final: 0.7760 (tmtt) REVERT: K 17 LYS cc_start: 0.8964 (mttt) cc_final: 0.8082 (tmtt) REVERT: L 9 LYS cc_start: 0.9182 (tppt) cc_final: 0.8943 (ttmm) REVERT: M 1 MET cc_start: 0.7638 (pmm) cc_final: 0.7289 (pmm) REVERT: M 6 LYS cc_start: 0.8996 (ttmm) cc_final: 0.8090 (tmtt) REVERT: M 9 LYS cc_start: 0.9235 (tptm) cc_final: 0.8924 (tptt) REVERT: M 17 LYS cc_start: 0.9249 (mtpp) cc_final: 0.8794 (pttt) REVERT: M 18 PHE cc_start: 0.8539 (OUTLIER) cc_final: 0.7781 (t80) REVERT: N 1 MET cc_start: 0.7371 (mtm) cc_final: 0.7085 (mtm) REVERT: N 6 LYS cc_start: 0.9030 (ptmt) cc_final: 0.8499 (pttp) REVERT: N 12 LYS cc_start: 0.9297 (tmmt) cc_final: 0.8944 (tmmt) REVERT: Q 6 LYS cc_start: 0.9019 (ttmm) cc_final: 0.7936 (tmtt) REVERT: Q 9 LYS cc_start: 0.9210 (tptt) cc_final: 0.8949 (tptm) REVERT: Q 13 ASP cc_start: 0.8731 (m-30) cc_final: 0.7879 (m-30) REVERT: Q 17 LYS cc_start: 0.9167 (mtpp) cc_final: 0.8650 (pttt) REVERT: R 6 LYS cc_start: 0.8894 (ptmt) cc_final: 0.8533 (pttp) REVERT: T 12 LYS cc_start: 0.9278 (tttm) cc_final: 0.8972 (tppt) REVERT: U 1 MET cc_start: 0.7816 (pmm) cc_final: 0.7182 (pmm) REVERT: U 6 LYS cc_start: 0.8945 (ttmm) cc_final: 0.7987 (tmtt) REVERT: U 9 LYS cc_start: 0.9235 (tptm) cc_final: 0.8801 (tptt) REVERT: U 17 LYS cc_start: 0.9235 (mtpp) cc_final: 0.8701 (pttt) REVERT: V 6 LYS cc_start: 0.9071 (ptmt) cc_final: 0.8699 (pttp) REVERT: W 1 MET cc_start: 0.7334 (tmm) cc_final: 0.6887 (tmm) REVERT: W 17 LYS cc_start: 0.8848 (mttt) cc_final: 0.8051 (tmtt) REVERT: X 1 MET cc_start: 0.7496 (ptp) cc_final: 0.5382 (mmt) REVERT: Y 6 LYS cc_start: 0.8942 (ttmm) cc_final: 0.8216 (tmtt) REVERT: Y 9 LYS cc_start: 0.9122 (tptt) cc_final: 0.8787 (tptt) REVERT: Y 17 LYS cc_start: 0.9275 (mtpp) cc_final: 0.8602 (pttt) REVERT: Y 19 LEU cc_start: 0.8534 (OUTLIER) cc_final: 0.8204 (tt) REVERT: Z 1 MET cc_start: 0.7577 (mtm) cc_final: 0.7168 (mtm) REVERT: Z 6 LYS cc_start: 0.8700 (ptmt) cc_final: 0.8060 (pptt) REVERT: 0 1 MET cc_start: 0.7854 (tpt) cc_final: 0.7132 (tpt) REVERT: 0 17 LYS cc_start: 0.8842 (mttt) cc_final: 0.7951 (tmtt) REVERT: 1 12 LYS cc_start: 0.9274 (tttm) cc_final: 0.8868 (tptp) REVERT: 2 1 MET cc_start: 0.7230 (pmm) cc_final: 0.6733 (pmm) REVERT: 2 6 LYS cc_start: 0.9023 (ttmm) cc_final: 0.7986 (tmtt) REVERT: 2 9 LYS cc_start: 0.9000 (tptp) cc_final: 0.8799 (tptp) REVERT: 2 13 ASP cc_start: 0.8617 (m-30) cc_final: 0.8185 (m-30) REVERT: 2 17 LYS cc_start: 0.9204 (mtpp) cc_final: 0.8694 (pttt) REVERT: 3 6 LYS cc_start: 0.8841 (ptmt) cc_final: 0.8219 (tmtt) REVERT: 5 1 MET cc_start: 0.6484 (ptt) cc_final: 0.4160 (mmt) REVERT: 6 1 MET cc_start: 0.7706 (pmm) cc_final: 0.7224 (pmm) REVERT: 6 6 LYS cc_start: 0.8855 (ttmm) cc_final: 0.8113 (tmtt) REVERT: 6 9 LYS cc_start: 0.9245 (tptm) cc_final: 0.8772 (tptt) REVERT: 6 17 LYS cc_start: 0.9279 (mtpp) cc_final: 0.8893 (pttt) REVERT: 6 19 LEU cc_start: 0.8086 (OUTLIER) cc_final: 0.7855 (tt) REVERT: 7 1 MET cc_start: 0.7048 (mtm) cc_final: 0.6721 (mtm) REVERT: 7 6 LYS cc_start: 0.8830 (ptmt) cc_final: 0.8437 (pttp) REVERT: 8 17 LYS cc_start: 0.9020 (mttt) cc_final: 0.8220 (tmtt) REVERT: a 6 LYS cc_start: 0.8938 (ttmm) cc_final: 0.8031 (tmtt) REVERT: a 9 LYS cc_start: 0.9245 (tptm) cc_final: 0.8696 (tptp) REVERT: a 13 ASP cc_start: 0.8712 (m-30) cc_final: 0.8131 (m-30) REVERT: a 17 LYS cc_start: 0.9233 (mtpp) cc_final: 0.8743 (pptt) REVERT: b 6 LYS cc_start: 0.8404 (ptmt) cc_final: 0.7934 (ptmm) REVERT: b 12 LYS cc_start: 0.9396 (tmmt) cc_final: 0.9123 (tmmt) REVERT: c 1 MET cc_start: 0.7696 (tmm) cc_final: 0.5575 (mpp) REVERT: c 17 LYS cc_start: 0.9172 (mttt) cc_final: 0.8047 (tmtt) REVERT: d 1 MET cc_start: 0.7683 (ptp) cc_final: 0.5481 (mmt) REVERT: e 6 LYS cc_start: 0.8900 (ttmm) cc_final: 0.8054 (tmtt) REVERT: e 9 LYS cc_start: 0.9179 (tptm) cc_final: 0.8960 (tptt) REVERT: e 17 LYS cc_start: 0.9315 (mtpp) cc_final: 0.8789 (pttt) REVERT: f 6 LYS cc_start: 0.8586 (ptmt) cc_final: 0.8234 (pttp) REVERT: h 1 MET cc_start: 0.6419 (ptt) cc_final: 0.4938 (mmt) REVERT: h 12 LYS cc_start: 0.9263 (ttpt) cc_final: 0.8744 (tppt) REVERT: i 6 LYS cc_start: 0.8948 (ttmm) cc_final: 0.8210 (tmtt) REVERT: i 9 LYS cc_start: 0.9187 (tptm) cc_final: 0.8968 (tptm) REVERT: i 17 LYS cc_start: 0.9328 (mtpp) cc_final: 0.8678 (pttt) REVERT: j 6 LYS cc_start: 0.8720 (ptmt) cc_final: 0.8192 (pptt) REVERT: j 12 LYS cc_start: 0.9270 (tmmt) cc_final: 0.8979 (tmmt) REVERT: j 17 LYS cc_start: 0.8899 (ttmm) cc_final: 0.7854 (tmtt) REVERT: k 2 GLU cc_start: 0.7288 (OUTLIER) cc_final: 0.6157 (tm-30) REVERT: k 17 LYS cc_start: 0.8979 (mttt) cc_final: 0.8245 (tmtt) REVERT: l 12 LYS cc_start: 0.9252 (ttpt) cc_final: 0.8778 (tptp) REVERT: l 19 LEU cc_start: 0.9061 (mt) cc_final: 0.8829 (mp) REVERT: m 6 LYS cc_start: 0.8913 (ttmm) cc_final: 0.8101 (tmtt) REVERT: m 9 LYS cc_start: 0.9329 (tptt) cc_final: 0.8813 (tptt) REVERT: m 13 ASP cc_start: 0.8784 (m-30) cc_final: 0.7466 (m-30) REVERT: m 17 LYS cc_start: 0.9215 (mtpp) cc_final: 0.8662 (pttp) REVERT: n 1 MET cc_start: 0.7361 (mtm) cc_final: 0.7151 (mtp) REVERT: n 6 LYS cc_start: 0.8870 (ptmt) cc_final: 0.8232 (tmtt) REVERT: n 17 LYS cc_start: 0.8997 (ttmm) cc_final: 0.7770 (tmtt) REVERT: p 1 MET cc_start: 0.7909 (ptm) cc_final: 0.7529 (ptm) REVERT: q 9 LYS cc_start: 0.9080 (tptt) cc_final: 0.8695 (tptp) REVERT: q 13 ASP cc_start: 0.8783 (m-30) cc_final: 0.7648 (m-30) REVERT: r 6 LYS cc_start: 0.9292 (ptpt) cc_final: 0.9043 (ptpp) REVERT: r 12 LYS cc_start: 0.9386 (tmmt) cc_final: 0.9029 (tmmt) REVERT: s 1 MET cc_start: 0.7461 (OUTLIER) cc_final: 0.4234 (mpp) REVERT: t 1 MET cc_start: 0.7204 (ptt) cc_final: 0.6998 (ptm) REVERT: u 2 GLU cc_start: 0.9014 (tp30) cc_final: 0.8486 (tp30) REVERT: u 6 LYS cc_start: 0.9351 (mmtt) cc_final: 0.8966 (mmtp) REVERT: u 9 LYS cc_start: 0.9237 (tptm) cc_final: 0.8927 (tppp) REVERT: v 1 MET cc_start: 0.7176 (mtm) cc_final: 0.6870 (mtm) REVERT: v 6 LYS cc_start: 0.9289 (ptmt) cc_final: 0.8943 (ptpp) REVERT: v 13 ASP cc_start: 0.8786 (t0) cc_final: 0.8451 (t70) REVERT: v 21 ASN cc_start: 0.7576 (p0) cc_final: 0.7274 (p0) REVERT: y 2 GLU cc_start: 0.8868 (tp30) cc_final: 0.8544 (tp30) REVERT: y 9 LYS cc_start: 0.9153 (tptm) cc_final: 0.8737 (tptm) REVERT: y 13 ASP cc_start: 0.8714 (m-30) cc_final: 0.8153 (m-30) REVERT: z 6 LYS cc_start: 0.9325 (ptmt) cc_final: 0.9030 (ptpp) REVERT: z 15 LEU cc_start: 0.8908 (OUTLIER) cc_final: 0.8702 (tt) REVERT: AA 1 MET cc_start: 0.7107 (tmm) cc_final: 0.6572 (tmm) REVERT: AC 9 LYS cc_start: 0.9209 (tptm) cc_final: 0.8869 (tptm) REVERT: AC 13 ASP cc_start: 0.8771 (OUTLIER) cc_final: 0.8497 (m-30) REVERT: AD 9 LYS cc_start: 0.9187 (ttpt) cc_final: 0.8823 (mtpp) REVERT: AD 12 LYS cc_start: 0.9255 (tmmt) cc_final: 0.8977 (tmmt) REVERT: AE 9 LYS cc_start: 0.9270 (tppt) cc_final: 0.8953 (tppt) REVERT: AE 13 ASP cc_start: 0.8070 (p0) cc_final: 0.7847 (p0) REVERT: AE 18 PHE cc_start: 0.8713 (t80) cc_final: 0.8441 (t80) REVERT: AG 1 MET cc_start: 0.7226 (pmm) cc_final: 0.6455 (pmm) REVERT: AG 9 LYS cc_start: 0.9211 (tptm) cc_final: 0.8874 (tppt) REVERT: AH 6 LYS cc_start: 0.9352 (ptmt) cc_final: 0.8954 (ptmt) REVERT: AI 1 MET cc_start: 0.7561 (tmm) cc_final: 0.7145 (tmm) REVERT: AJ 2 GLU cc_start: 0.8467 (pm20) cc_final: 0.8173 (pm20) REVERT: AJ 13 ASP cc_start: 0.8929 (t0) cc_final: 0.8376 (t0) REVERT: AK 1 MET cc_start: 0.7473 (pmm) cc_final: 0.6051 (pmm) REVERT: AK 2 GLU cc_start: 0.8936 (tp30) cc_final: 0.8530 (tp30) REVERT: AK 6 LYS cc_start: 0.9345 (mmtt) cc_final: 0.9103 (mmtt) REVERT: AK 9 LYS cc_start: 0.9242 (tptm) cc_final: 0.8691 (tptt) REVERT: AM 18 PHE cc_start: 0.8944 (t80) cc_final: 0.8689 (t80) REVERT: AO 1 MET cc_start: 0.7338 (pmm) cc_final: 0.7078 (pmm) REVERT: AO 9 LYS cc_start: 0.9399 (tppt) cc_final: 0.9046 (tppt) REVERT: AO 13 ASP cc_start: 0.9018 (m-30) cc_final: 0.8553 (m-30) REVERT: AO 17 LYS cc_start: 0.9087 (mtpt) cc_final: 0.8660 (mtpt) REVERT: AP 6 LYS cc_start: 0.9274 (ptpt) cc_final: 0.8997 (ptpp) REVERT: AQ 1 MET cc_start: 0.7917 (OUTLIER) cc_final: 0.5750 (mpp) REVERT: AR 13 ASP cc_start: 0.9144 (t0) cc_final: 0.8839 (t0) REVERT: AS 2 GLU cc_start: 0.9134 (tp30) cc_final: 0.8797 (tp30) REVERT: AS 6 LYS cc_start: 0.9229 (mmmt) cc_final: 0.8955 (mmmt) REVERT: AS 9 LYS cc_start: 0.9140 (tptt) cc_final: 0.8578 (tptp) REVERT: AS 13 ASP cc_start: 0.8613 (m-30) cc_final: 0.7410 (m-30) REVERT: AT 6 LYS cc_start: 0.9276 (ptmt) cc_final: 0.8997 (ptpp) REVERT: AW 2 GLU cc_start: 0.8778 (tp30) cc_final: 0.8072 (tp30) REVERT: AW 6 LYS cc_start: 0.9326 (mttm) cc_final: 0.8905 (mttm) REVERT: AW 9 LYS cc_start: 0.9213 (tptm) cc_final: 0.8372 (tptt) REVERT: AW 13 ASP cc_start: 0.8717 (m-30) cc_final: 0.7739 (m-30) REVERT: AX 6 LYS cc_start: 0.9266 (ptmt) cc_final: 0.9034 (ptpp) REVERT: AX 21 ASN cc_start: 0.7228 (OUTLIER) cc_final: 0.6808 (p0) REVERT: AY 1 MET cc_start: 0.6776 (tmm) cc_final: 0.5415 (mpp) REVERT: A0 13 ASP cc_start: 0.8646 (m-30) cc_final: 0.8105 (m-30) REVERT: A0 15 LEU cc_start: 0.8280 (OUTLIER) cc_final: 0.7924 (tp) REVERT: A0 19 LEU cc_start: 0.8112 (OUTLIER) cc_final: 0.7876 (tt) REVERT: A1 21 ASN cc_start: 0.7690 (p0) cc_final: 0.7396 (p0) REVERT: A2 1 MET cc_start: 0.7119 (tmm) cc_final: 0.5744 (mpp) REVERT: A3 2 GLU cc_start: 0.8445 (pm20) cc_final: 0.8182 (pm20) REVERT: A4 2 GLU cc_start: 0.8797 (tp30) cc_final: 0.8288 (tp30) REVERT: A4 9 LYS cc_start: 0.9109 (tptt) cc_final: 0.8482 (tptp) REVERT: A4 13 ASP cc_start: 0.8630 (m-30) cc_final: 0.7812 (m-30) REVERT: A5 12 LYS cc_start: 0.9309 (tmmt) cc_final: 0.9069 (tmmt) REVERT: A6 1 MET cc_start: 0.8080 (tmm) cc_final: 0.5666 (mpp) REVERT: A7 15 LEU cc_start: 0.9621 (tp) cc_final: 0.9378 (tp) REVERT: A8 6 LYS cc_start: 0.9174 (mmtm) cc_final: 0.8746 (mmtm) REVERT: A8 9 LYS cc_start: 0.9130 (tptt) cc_final: 0.8482 (tptm) REVERT: A8 13 ASP cc_start: 0.8851 (m-30) cc_final: 0.7601 (m-30) REVERT: A9 6 LYS cc_start: 0.9375 (ptmt) cc_final: 0.8963 (ptpp) REVERT: A9 15 LEU cc_start: 0.8829 (OUTLIER) cc_final: 0.8599 (tp) REVERT: BB 6 LYS cc_start: 0.9165 (ttmm) cc_final: 0.8827 (mtmm) REVERT: BD 12 LYS cc_start: 0.9236 (ttpt) cc_final: 0.8971 (tmmt) REVERT: BE 1 MET cc_start: 0.7329 (tmm) cc_final: 0.6396 (mpp) REVERT: BF 12 LYS cc_start: 0.9206 (ttpt) cc_final: 0.8583 (tppt) REVERT: BG 13 ASP cc_start: 0.8670 (m-30) cc_final: 0.8275 (m-30) REVERT: BH 13 ASP cc_start: 0.8700 (t70) cc_final: 0.8426 (t0) REVERT: BJ 12 LYS cc_start: 0.9281 (ttpt) cc_final: 0.8605 (tptp) REVERT: BK 2 GLU cc_start: 0.8490 (tp30) cc_final: 0.8264 (tp30) REVERT: BK 9 LYS cc_start: 0.9184 (tptm) cc_final: 0.8871 (tptt) REVERT: BL 21 ASN cc_start: 0.7681 (p0) cc_final: 0.7421 (p0) REVERT: BP 13 ASP cc_start: 0.8582 (t70) cc_final: 0.8350 (t0) REVERT: BR 12 LYS cc_start: 0.9227 (ttpt) cc_final: 0.8865 (tptp) REVERT: BS 9 LYS cc_start: 0.9211 (tppp) cc_final: 0.8717 (tptm) REVERT: BS 13 ASP cc_start: 0.8661 (m-30) cc_final: 0.8177 (m-30) REVERT: BT 6 LYS cc_start: 0.9315 (ptmt) cc_final: 0.9026 (ptpp) REVERT: BW 9 LYS cc_start: 0.9155 (tptt) cc_final: 0.8754 (tptt) REVERT: BX 6 LYS cc_start: 0.9291 (ptpt) cc_final: 0.9075 (ptpp) REVERT: BX 9 LYS cc_start: 0.9352 (OUTLIER) cc_final: 0.9110 (mtpp) REVERT: BX 12 LYS cc_start: 0.9339 (tmmt) cc_final: 0.9035 (tmmt) REVERT: BY 1 MET cc_start: 0.6775 (tmm) cc_final: 0.5425 (mtm) REVERT: BZ 12 LYS cc_start: 0.9109 (tptm) cc_final: 0.8492 (tptp) REVERT: B0 2 GLU cc_start: 0.8926 (tp30) cc_final: 0.8568 (tp30) REVERT: B0 6 LYS cc_start: 0.9190 (mttm) cc_final: 0.8930 (mtpp) REVERT: B0 9 LYS cc_start: 0.9263 (tptt) cc_final: 0.8658 (tptp) REVERT: B0 13 ASP cc_start: 0.8713 (m-30) cc_final: 0.7930 (m-30) REVERT: B0 17 LYS cc_start: 0.9005 (mtpp) cc_final: 0.8535 (mtpt) REVERT: B1 1 MET cc_start: 0.6602 (mtm) cc_final: 0.6362 (mmm) REVERT: B1 21 ASN cc_start: 0.7416 (p0) cc_final: 0.7103 (p0) REVERT: B2 1 MET cc_start: 0.7297 (tmm) cc_final: 0.6721 (tmm) REVERT: B3 11 PHE cc_start: 0.9123 (m-10) cc_final: 0.8788 (m-80) REVERT: B4 13 ASP cc_start: 0.8708 (m-30) cc_final: 0.8428 (m-30) REVERT: B8 9 LYS cc_start: 0.9159 (tptm) cc_final: 0.8561 (tptp) REVERT: B9 17 LYS cc_start: 0.8997 (ttmm) cc_final: 0.8738 (mmmm) REVERT: B9 18 PHE cc_start: 0.8511 (t80) cc_final: 0.8125 (t80) REVERT: CA 1 MET cc_start: 0.6951 (tmm) cc_final: 0.6557 (tmm) REVERT: CB 6 LYS cc_start: 0.9125 (ttmm) cc_final: 0.8901 (mtmm) REVERT: CC 2 GLU cc_start: 0.8866 (tp30) cc_final: 0.8489 (tp30) REVERT: CC 9 LYS cc_start: 0.9216 (tptm) cc_final: 0.8933 (tptm) REVERT: CC 13 ASP cc_start: 0.8623 (m-30) cc_final: 0.8161 (m-30) REVERT: CC 19 LEU cc_start: 0.8158 (OUTLIER) cc_final: 0.7936 (tt) REVERT: CD 6 LYS cc_start: 0.9224 (ptmt) cc_final: 0.8928 (ptpp) REVERT: CE 1 MET cc_start: 0.7501 (tpp) cc_final: 0.7153 (tpp) REVERT: CG 2 GLU cc_start: 0.8718 (tp30) cc_final: 0.8005 (tp30) REVERT: CG 6 LYS cc_start: 0.9350 (mmtt) cc_final: 0.8989 (mmtt) REVERT: CG 9 LYS cc_start: 0.9116 (tptt) cc_final: 0.8661 (tptm) REVERT: CG 13 ASP cc_start: 0.8710 (m-30) cc_final: 0.8056 (m-30) REVERT: CH 1 MET cc_start: 0.6892 (mtm) cc_final: 0.6685 (mtm) REVERT: CH 12 LYS cc_start: 0.9327 (tmmt) cc_final: 0.9013 (tmmt) REVERT: CL 1 MET cc_start: 0.7167 (mtm) cc_final: 0.6688 (mtm) REVERT: CL 12 LYS cc_start: 0.9346 (tmmt) cc_final: 0.9049 (tmmt) REVERT: CM 1 MET cc_start: 0.6799 (tmm) cc_final: 0.6546 (tmm) REVERT: CO 9 LYS cc_start: 0.9202 (tptt) cc_final: 0.8817 (tptp) REVERT: CO 13 ASP cc_start: 0.8709 (m-30) cc_final: 0.7843 (m-30) REVERT: CP 6 LYS cc_start: 0.9226 (ptpt) cc_final: 0.8944 (ptpp) REVERT: CP 13 ASP cc_start: 0.8848 (t0) cc_final: 0.8530 (t0) REVERT: CQ 1 MET cc_start: 0.8266 (tmm) cc_final: 0.7674 (tmm) REVERT: CR 12 LYS cc_start: 0.9318 (tttt) cc_final: 0.8865 (tppt) REVERT: CS 2 GLU cc_start: 0.8835 (tp30) cc_final: 0.7994 (tp30) REVERT: CS 6 LYS cc_start: 0.9347 (mmtm) cc_final: 0.8783 (mmtt) REVERT: CS 9 LYS cc_start: 0.9302 (tptt) cc_final: 0.9085 (tptm) REVERT: CT 21 ASN cc_start: 0.7667 (p0) cc_final: 0.7408 (p0) REVERT: CW 9 LYS cc_start: 0.9102 (tptm) cc_final: 0.8618 (tptt) REVERT: CX 6 LYS cc_start: 0.9296 (ptmt) cc_final: 0.8922 (ptpp) REVERT: CX 12 LYS cc_start: 0.9196 (tmmt) cc_final: 0.8953 (tmmt) REVERT: CX 21 ASN cc_start: 0.6786 (p0) cc_final: 0.6534 (p0) REVERT: C0 2 GLU cc_start: 0.8887 (tp30) cc_final: 0.8431 (tp30) REVERT: C0 6 LYS cc_start: 0.9304 (mttm) cc_final: 0.8985 (mttm) REVERT: C1 12 LYS cc_start: 0.9281 (tmmt) cc_final: 0.8965 (tmmt) REVERT: C1 21 ASN cc_start: 0.7218 (p0) cc_final: 0.7004 (p0) REVERT: C2 1 MET cc_start: 0.8289 (tmm) cc_final: 0.6071 (mpp) REVERT: C4 9 LYS cc_start: 0.9265 (tptm) cc_final: 0.8888 (tptt) REVERT: C5 6 LYS cc_start: 0.9302 (ptpt) cc_final: 0.8803 (ptpp) REVERT: C7 11 PHE cc_start: 0.9211 (m-10) cc_final: 0.8921 (m-80) REVERT: C8 1 MET cc_start: 0.7029 (ptp) cc_final: 0.6583 (ptp) REVERT: C8 9 LYS cc_start: 0.9071 (tptm) cc_final: 0.8669 (tptt) REVERT: C8 13 ASP cc_start: 0.8765 (m-30) cc_final: 0.8165 (m-30) REVERT: C8 17 LYS cc_start: 0.9114 (mtpp) cc_final: 0.8904 (mtpp) REVERT: C9 1 MET cc_start: 0.6901 (mtm) cc_final: 0.6665 (mtp) REVERT: C9 12 LYS cc_start: 0.9211 (tmmt) cc_final: 0.8958 (tmmt) REVERT: C9 21 ASN cc_start: 0.7381 (p0) cc_final: 0.6887 (p0) REVERT: DB 1 MET cc_start: 0.7934 (ptt) cc_final: 0.7711 (ptt) REVERT: DC 9 LYS cc_start: 0.9181 (tptt) cc_final: 0.8622 (tptt) REVERT: DC 13 ASP cc_start: 0.8789 (m-30) cc_final: 0.8006 (m-30) REVERT: DD 6 LYS cc_start: 0.9312 (ptmt) cc_final: 0.9030 (ptpp) REVERT: DE 1 MET cc_start: 0.6866 (tmm) cc_final: 0.6608 (tmm) REVERT: DF 15 LEU cc_start: 0.9629 (tp) cc_final: 0.9256 (tp) REVERT: DG 9 LYS cc_start: 0.9142 (tptt) cc_final: 0.8801 (tptt) REVERT: DH 13 ASP cc_start: 0.8891 (t0) cc_final: 0.8503 (t0) REVERT: DK 1 MET cc_start: 0.7764 (pmm) cc_final: 0.7285 (pmm) REVERT: DK 2 GLU cc_start: 0.8916 (tp30) cc_final: 0.8496 (tp30) REVERT: DK 9 LYS cc_start: 0.9407 (tptm) cc_final: 0.9052 (tppt) REVERT: DL 1 MET cc_start: 0.7120 (mtm) cc_final: 0.6642 (mtm) REVERT: DM 1 MET cc_start: 0.7309 (tmm) cc_final: 0.5903 (mpp) REVERT: DN 1 MET cc_start: 0.7249 (ptt) cc_final: 0.6763 (ptm) REVERT: DO 2 GLU cc_start: 0.8770 (tp30) cc_final: 0.8531 (tp30) REVERT: DO 9 LYS cc_start: 0.9190 (tptm) cc_final: 0.8542 (tptm) REVERT: DO 13 ASP cc_start: 0.8571 (m-30) cc_final: 0.7386 (m-30) REVERT: DP 6 LYS cc_start: 0.9399 (ptmt) cc_final: 0.9122 (ptpp) REVERT: DP 13 ASP cc_start: 0.8685 (t0) cc_final: 0.8340 (t0) REVERT: DQ 1 MET cc_start: 0.7274 (ttp) cc_final: 0.6732 (tmm) REVERT: DR 12 LYS cc_start: 0.9277 (ttpt) cc_final: 0.8783 (tptp) REVERT: DS 2 GLU cc_start: 0.8736 (tp30) cc_final: 0.8208 (tp30) REVERT: DS 6 LYS cc_start: 0.9155 (mttm) cc_final: 0.8831 (mmtp) REVERT: DS 9 LYS cc_start: 0.9033 (tptt) cc_final: 0.8725 (tptt) REVERT: DU 1 MET cc_start: 0.8199 (tpt) cc_final: 0.7929 (tpp) REVERT: DV 2 GLU cc_start: 0.8213 (pm20) cc_final: 0.7936 (pm20) REVERT: DW 9 LYS cc_start: 0.9077 (tptm) cc_final: 0.8718 (tptp) REVERT: DX 6 LYS cc_start: 0.9243 (ptpt) cc_final: 0.8892 (ptpp) REVERT: DX 13 ASP cc_start: 0.8776 (t0) cc_final: 0.8400 (t0) REVERT: DX 21 ASN cc_start: 0.7913 (p0) cc_final: 0.7527 (p0) REVERT: DY 1 MET cc_start: 0.6983 (tmm) cc_final: 0.5585 (mpp) REVERT: DZ 11 PHE cc_start: 0.9145 (m-10) cc_final: 0.8825 (m-80) REVERT: D0 2 GLU cc_start: 0.8699 (tp30) cc_final: 0.8134 (tp30) REVERT: D0 6 LYS cc_start: 0.9179 (mttm) cc_final: 0.8692 (mmtp) REVERT: D0 9 LYS cc_start: 0.9223 (tptm) cc_final: 0.8856 (tptt) REVERT: D0 18 PHE cc_start: 0.8743 (OUTLIER) cc_final: 0.8272 (t80) REVERT: D2 9 LYS cc_start: 0.9330 (tppt) cc_final: 0.8916 (tppt) REVERT: D2 13 ASP cc_start: 0.8328 (OUTLIER) cc_final: 0.8083 (p0) REVERT: D4 9 LYS cc_start: 0.9286 (tptt) cc_final: 0.9031 (tptm) REVERT: D4 13 ASP cc_start: 0.8663 (m-30) cc_final: 0.8144 (m-30) REVERT: D5 1 MET cc_start: 0.7190 (mtm) cc_final: 0.6697 (mtm) REVERT: D5 21 ASN cc_start: 0.7488 (OUTLIER) cc_final: 0.7066 (p0) REVERT: D6 1 MET cc_start: 0.7227 (tmm) cc_final: 0.6201 (mtt) REVERT: D7 13 ASP cc_start: 0.8964 (t0) cc_final: 0.8475 (t0) REVERT: D8 9 LYS cc_start: 0.9196 (tptm) cc_final: 0.8967 (tptm) REVERT: D9 6 LYS cc_start: 0.9188 (ptpt) cc_final: 0.8917 (ptmm) REVERT: EA 1 MET cc_start: 0.6655 (tpp) cc_final: 0.6230 (tpp) REVERT: EC 2 GLU cc_start: 0.8882 (tp30) cc_final: 0.8488 (tp30) REVERT: EC 9 LYS cc_start: 0.9321 (tptm) cc_final: 0.8909 (tptt) REVERT: EE 1 MET cc_start: 0.7160 (tmm) cc_final: 0.6580 (mpp) REVERT: EG 17 LYS cc_start: 0.8916 (mtpt) cc_final: 0.8406 (mtpp) REVERT: EH 6 LYS cc_start: 0.9224 (ptmt) cc_final: 0.8956 (ptpp) REVERT: EI 1 MET cc_start: 0.6716 (ttp) cc_final: 0.6070 (mpp) REVERT: EK 2 GLU cc_start: 0.8801 (tp30) cc_final: 0.8420 (tp30) REVERT: EK 6 LYS cc_start: 0.9341 (mmtt) cc_final: 0.8929 (mttm) REVERT: EK 9 LYS cc_start: 0.9094 (tptm) cc_final: 0.8795 (tptt) REVERT: EK 13 ASP cc_start: 0.8558 (m-30) cc_final: 0.7671 (m-30) REVERT: EK 17 LYS cc_start: 0.9174 (mtpt) cc_final: 0.8885 (mtpm) REVERT: EL 12 LYS cc_start: 0.9304 (ttpt) cc_final: 0.9069 (tmmt) REVERT: EM 1 MET cc_start: 0.7380 (tmm) cc_final: 0.6542 (mpp) REVERT: EN 2 GLU cc_start: 0.8492 (pm20) cc_final: 0.8232 (pm20) REVERT: EN 12 LYS cc_start: 0.9225 (ttpt) cc_final: 0.8744 (tptp) REVERT: EO 1 MET cc_start: 0.7760 (pmm) cc_final: 0.7329 (pmm) REVERT: EO 9 LYS cc_start: 0.9177 (tptm) cc_final: 0.8834 (tptt) REVERT: EP 6 LYS cc_start: 0.9218 (ptmt) cc_final: 0.8922 (ptpp) REVERT: EQ 1 MET cc_start: 0.7189 (OUTLIER) cc_final: 0.6626 (tmm) REVERT: EQ 13 ASP cc_start: 0.8972 (t70) cc_final: 0.8744 (t0) REVERT: ER 1 MET cc_start: 0.6722 (ptt) cc_final: 0.6520 (ptp) REVERT: ER 11 PHE cc_start: 0.9143 (m-10) cc_final: 0.8924 (m-80) REVERT: ES 9 LYS cc_start: 0.9129 (tptm) cc_final: 0.8659 (tptm) REVERT: ES 13 ASP cc_start: 0.8646 (m-30) cc_final: 0.8299 (m-30) REVERT: ET 6 LYS cc_start: 0.9244 (ptmm) cc_final: 0.9009 (ptpp) REVERT: EU 1 MET cc_start: 0.6985 (tpp) cc_final: 0.6750 (tpp) REVERT: EV 12 LYS cc_start: 0.9284 (tttm) cc_final: 0.8730 (tptp) REVERT: EW 9 LYS cc_start: 0.9196 (tptm) cc_final: 0.8743 (tptp) REVERT: EX 13 ASP cc_start: 0.8755 (t0) cc_final: 0.8389 (t0) REVERT: EY 13 ASP cc_start: 0.8561 (OUTLIER) cc_final: 0.8222 (p0) REVERT: EZ 2 GLU cc_start: 0.8559 (pm20) cc_final: 0.8276 (pm20) REVERT: EZ 12 LYS cc_start: 0.9268 (tttt) cc_final: 0.8767 (tptp) REVERT: E1 6 LYS cc_start: 0.9328 (ptmt) cc_final: 0.8892 (ptmt) REVERT: E2 1 MET cc_start: 0.6724 (ttt) cc_final: 0.6018 (ttt) REVERT: E4 2 GLU cc_start: 0.8756 (tp30) cc_final: 0.7851 (tp30) REVERT: E4 6 LYS cc_start: 0.9159 (mtpp) cc_final: 0.8577 (mttm) REVERT: E4 9 LYS cc_start: 0.9175 (tptm) cc_final: 0.8664 (tptt) REVERT: E4 13 ASP cc_start: 0.8652 (m-30) cc_final: 0.7946 (m-30) REVERT: E5 1 MET cc_start: 0.6994 (mtm) cc_final: 0.6760 (mtm) REVERT: E5 6 LYS cc_start: 0.9289 (ptpt) cc_final: 0.9007 (pttt) REVERT: E7 13 ASP cc_start: 0.8932 (t0) cc_final: 0.8592 (t0) REVERT: E8 9 LYS cc_start: 0.9172 (tptt) cc_final: 0.8810 (tptm) REVERT: E8 13 ASP cc_start: 0.8525 (m-30) cc_final: 0.7874 (m-30) REVERT: E9 6 LYS cc_start: 0.9145 (ptpt) cc_final: 0.8839 (ptmm) REVERT: FC 2 GLU cc_start: 0.8800 (tp30) cc_final: 0.8507 (tp30) REVERT: FC 6 LYS cc_start: 0.9260 (mmtm) cc_final: 0.8870 (mttm) REVERT: FC 9 LYS cc_start: 0.9095 (tptt) cc_final: 0.8622 (tptt) REVERT: FC 19 LEU cc_start: 0.7911 (OUTLIER) cc_final: 0.7687 (tt) REVERT: FD 6 LYS cc_start: 0.9234 (ptmt) cc_final: 0.8881 (ptpp) REVERT: FF 12 LYS cc_start: 0.9181 (tttt) cc_final: 0.8725 (tptp) REVERT: FG 9 LYS cc_start: 0.9185 (tptm) cc_final: 0.8755 (tptp) REVERT: FG 13 ASP cc_start: 0.8790 (m-30) cc_final: 0.8370 (m-30) REVERT: FH 6 LYS cc_start: 0.9332 (ptmt) cc_final: 0.8953 (ptpp) REVERT: FH 12 LYS cc_start: 0.9167 (tmmt) cc_final: 0.8935 (tmmt) REVERT: FL 6 LYS cc_start: 0.9333 (ptmt) cc_final: 0.8993 (ptpp) REVERT: FM 13 ASP cc_start: 0.8485 (OUTLIER) cc_final: 0.8239 (p0) REVERT: FO 2 GLU cc_start: 0.8876 (tp30) cc_final: 0.8453 (tp30) REVERT: FO 6 LYS cc_start: 0.9175 (mttm) cc_final: 0.8815 (mttm) REVERT: FO 9 LYS cc_start: 0.9255 (tptt) cc_final: 0.8721 (tptp) REVERT: FO 13 ASP cc_start: 0.8695 (m-30) cc_final: 0.7877 (m-30) REVERT: FQ 1 MET cc_start: 0.7168 (ttm) cc_final: 0.6773 (ttt) REVERT: FS 9 LYS cc_start: 0.9173 (tptt) cc_final: 0.8555 (tptm) REVERT: FS 13 ASP cc_start: 0.8774 (m-30) cc_final: 0.7588 (m-30) REVERT: FT 6 LYS cc_start: 0.9360 (ptmt) cc_final: 0.9114 (ptpp) REVERT: FT 12 LYS cc_start: 0.9295 (tmmt) cc_final: 0.8943 (tmmt) REVERT: FU 1 MET cc_start: 0.6595 (ttt) cc_final: 0.6347 (ttt) REVERT: FU 2 GLU cc_start: 0.7152 (tm-30) cc_final: 0.6199 (tm-30) REVERT: FW 1 MET cc_start: 0.7589 (pmm) cc_final: 0.7171 (pmm) REVERT: FW 2 GLU cc_start: 0.8759 (tp30) cc_final: 0.8084 (tp30) REVERT: FW 6 LYS cc_start: 0.9341 (mmtt) cc_final: 0.8893 (mmtt) REVERT: FW 18 PHE cc_start: 0.8674 (OUTLIER) cc_final: 0.8251 (t80) REVERT: FX 12 LYS cc_start: 0.9242 (tmmt) cc_final: 0.8972 (tmmt) REVERT: FX 21 ASN cc_start: 0.7294 (p0) cc_final: 0.6974 (p0) REVERT: FZ 2 GLU cc_start: 0.8299 (pm20) cc_final: 0.7989 (pm20) REVERT: F0 2 GLU cc_start: 0.8859 (tp30) cc_final: 0.8648 (tp30) REVERT: F0 6 LYS cc_start: 0.9409 (mmtt) cc_final: 0.9103 (mmtt) REVERT: F0 9 LYS cc_start: 0.9144 (tptt) cc_final: 0.8677 (tptm) REVERT: F0 13 ASP cc_start: 0.8771 (m-30) cc_final: 0.7810 (m-30) REVERT: F0 18 PHE cc_start: 0.8762 (OUTLIER) cc_final: 0.8464 (t80) REVERT: F2 1 MET cc_start: 0.5980 (ttt) cc_final: 0.5591 (ttt) REVERT: F3 12 LYS cc_start: 0.9228 (tttt) cc_final: 0.8721 (tppt) REVERT: F4 9 LYS cc_start: 0.9116 (tptt) cc_final: 0.8671 (tptm) REVERT: F4 13 ASP cc_start: 0.8559 (m-30) cc_final: 0.7668 (m-30) REVERT: F5 6 LYS cc_start: 0.9305 (ptpt) cc_final: 0.8985 (ptmm) REVERT: F7 12 LYS cc_start: 0.9344 (ttpt) cc_final: 0.8831 (tppt) REVERT: F8 6 LYS cc_start: 0.9245 (mmtp) cc_final: 0.8811 (mttp) REVERT: F8 9 LYS cc_start: 0.9229 (tptm) cc_final: 0.8733 (tptt) REVERT: GA 4 VAL cc_start: 0.9327 (m) cc_final: 0.8897 (p) REVERT: GA 8 PHE cc_start: 0.9203 (m-80) cc_final: 0.8883 (m-80) REVERT: GB 12 LYS cc_start: 0.9255 (tttt) cc_final: 0.8789 (tptp) REVERT: GC 9 LYS cc_start: 0.9145 (tptm) cc_final: 0.8617 (tptm) REVERT: GC 13 ASP cc_start: 0.8764 (m-30) cc_final: 0.8042 (m-30) REVERT: GD 6 LYS cc_start: 0.9291 (ptmt) cc_final: 0.8973 (ptpp) REVERT: GG 2 GLU cc_start: 0.8693 (tp30) cc_final: 0.8073 (tp30) REVERT: GG 6 LYS cc_start: 0.9146 (mmtt) cc_final: 0.8820 (mmtt) REVERT: GG 9 LYS cc_start: 0.9159 (tptm) cc_final: 0.8701 (tptt) REVERT: GG 13 ASP cc_start: 0.8882 (m-30) cc_final: 0.8082 (m-30) REVERT: GH 12 LYS cc_start: 0.9276 (tmmt) cc_final: 0.8991 (tmmt) REVERT: GH 21 ASN cc_start: 0.7713 (OUTLIER) cc_final: 0.7468 (p0) REVERT: GI 1 MET cc_start: 0.5719 (ttt) cc_final: 0.5040 (ttt) REVERT: GI 2 GLU cc_start: 0.5834 (pt0) cc_final: 0.5471 (pt0) REVERT: GJ 15 LEU cc_start: 0.9673 (tp) cc_final: 0.9465 (tp) REVERT: GK 13 ASP cc_start: 0.8749 (m-30) cc_final: 0.8530 (m-30) REVERT: GL 6 LYS cc_start: 0.9191 (ptmt) cc_final: 0.8945 (ptpp) REVERT: GL 11 PHE cc_start: 0.8335 (m-80) cc_final: 0.7547 (t80) REVERT: GM 1 MET cc_start: 0.6267 (ttt) cc_final: 0.5715 (ttt) REVERT: GO 9 LYS cc_start: 0.9251 (tptt) cc_final: 0.8844 (tptp) REVERT: GO 13 ASP cc_start: 0.8519 (m-30) cc_final: 0.7538 (m-30) REVERT: GP 1 MET cc_start: 0.7200 (mtm) cc_final: 0.6846 (mtm) REVERT: GP 12 LYS cc_start: 0.9442 (tmmt) cc_final: 0.9215 (tmmt) REVERT: GR 2 GLU cc_start: 0.8372 (pm20) cc_final: 0.8143 (pm20) REVERT: GR 12 LYS cc_start: 0.9285 (tttm) cc_final: 0.8894 (tptp) REVERT: GS 2 GLU cc_start: 0.8588 (tp30) cc_final: 0.8280 (tp30) REVERT: GS 6 LYS cc_start: 0.9191 (mttm) cc_final: 0.8694 (mmtp) REVERT: GS 9 LYS cc_start: 0.9178 (tptm) cc_final: 0.8666 (tptm) REVERT: GS 13 ASP cc_start: 0.8735 (OUTLIER) cc_final: 0.8374 (m-30) REVERT: GS 19 LEU cc_start: 0.8099 (OUTLIER) cc_final: 0.7852 (tt) REVERT: GT 1 MET cc_start: 0.7036 (mtm) cc_final: 0.6743 (mtm) REVERT: GT 12 LYS cc_start: 0.9341 (tmmt) cc_final: 0.9101 (tmmt) REVERT: G0 2 GLU cc_start: 0.8908 (tp30) cc_final: 0.8376 (tp30) REVERT: G0 9 LYS cc_start: 0.9212 (tptm) cc_final: 0.8613 (tppt) REVERT: G0 13 ASP cc_start: 0.8891 (OUTLIER) cc_final: 0.8366 (m-30) REVERT: G1 1 MET cc_start: 0.6368 (mtm) cc_final: 0.6168 (mtm) REVERT: G1 6 LYS cc_start: 0.9361 (ptmt) cc_final: 0.8999 (ptpp) REVERT: G1 15 LEU cc_start: 0.8745 (OUTLIER) cc_final: 0.8532 (tp) REVERT: G3 12 LYS cc_start: 0.9376 (ttpt) cc_final: 0.8979 (tptp) REVERT: G4 18 PHE cc_start: 0.8638 (OUTLIER) cc_final: 0.7919 (t80) REVERT: G5 6 LYS cc_start: 0.9289 (ptmt) cc_final: 0.8933 (ptpp) REVERT: G5 18 PHE cc_start: 0.8978 (t80) cc_final: 0.8605 (t80) REVERT: G6 1 MET cc_start: 0.6225 (ttt) cc_final: 0.5808 (ttt) REVERT: G7 19 LEU cc_start: 0.8921 (mt) cc_final: 0.8668 (mt) REVERT: G8 9 LYS cc_start: 0.9172 (tptt) cc_final: 0.8725 (tptp) REVERT: G8 13 ASP cc_start: 0.8763 (m-30) cc_final: 0.7542 (m-30) REVERT: G9 6 LYS cc_start: 0.9224 (ptpt) cc_final: 0.8890 (ptpp) REVERT: G9 12 LYS cc_start: 0.9448 (tmmt) cc_final: 0.9241 (tmmt) REVERT: G9 18 PHE cc_start: 0.8873 (t80) cc_final: 0.8289 (t80) REVERT: G9 21 ASN cc_start: 0.7694 (OUTLIER) cc_final: 0.7381 (p0) REVERT: HA 1 MET cc_start: 0.6457 (tmt) cc_final: 0.6160 (tmt) REVERT: HC 2 GLU cc_start: 0.8843 (tp30) cc_final: 0.8595 (tp30) REVERT: HC 9 LYS cc_start: 0.9258 (tptt) cc_final: 0.8879 (tptm) REVERT: HD 1 MET cc_start: 0.7442 (mtm) cc_final: 0.7076 (mtm) REVERT: HD 13 ASP cc_start: 0.8793 (t0) cc_final: 0.8531 (t0) REVERT: HG 9 LYS cc_start: 0.9121 (tptm) cc_final: 0.8917 (tptm) REVERT: HH 6 LYS cc_start: 0.9089 (ptpp) cc_final: 0.8817 (ptmm) REVERT: HH 11 PHE cc_start: 0.8935 (OUTLIER) cc_final: 0.8487 (m-10) REVERT: HJ 13 ASP cc_start: 0.8840 (t0) cc_final: 0.8232 (t0) REVERT: HL 1 MET cc_start: 0.6874 (mtm) cc_final: 0.6411 (mtm) REVERT: HL 12 LYS cc_start: 0.9275 (tmmt) cc_final: 0.8973 (tmmt) REVERT: HO 9 LYS cc_start: 0.9284 (tptt) cc_final: 0.8901 (tptt) REVERT: HP 6 LYS cc_start: 0.9182 (ptpt) cc_final: 0.8760 (ptpp) REVERT: HS 2 GLU cc_start: 0.8820 (tp30) cc_final: 0.8462 (tp30) REVERT: HS 6 LYS cc_start: 0.9281 (mmtt) cc_final: 0.9029 (mmtt) REVERT: HS 9 LYS cc_start: 0.9118 (tptm) cc_final: 0.8776 (tptt) REVERT: HS 13 ASP cc_start: 0.8810 (m-30) cc_final: 0.8148 (m-30) REVERT: HT 12 LYS cc_start: 0.9339 (tmmt) cc_final: 0.9037 (tmmt) REVERT: HU 13 ASP cc_start: 0.8729 (p0) cc_final: 0.8452 (p0) REVERT: HW 2 GLU cc_start: 0.8728 (tp30) cc_final: 0.8383 (tp30) REVERT: HW 9 LYS cc_start: 0.9220 (tptt) cc_final: 0.8871 (tptt) REVERT: HW 13 ASP cc_start: 0.8740 (m-30) cc_final: 0.8180 (m-30) REVERT: HW 15 LEU cc_start: 0.8444 (OUTLIER) cc_final: 0.8231 (tp) REVERT: HX 6 LYS cc_start: 0.9385 (ptmt) cc_final: 0.9131 (ptpp) REVERT: HX 13 ASP cc_start: 0.8752 (t0) cc_final: 0.8419 (t0) REVERT: HZ 11 PHE cc_start: 0.9105 (m-10) cc_final: 0.8758 (m-80) REVERT: H0 2 GLU cc_start: 0.8833 (tp30) cc_final: 0.8296 (tp30) REVERT: H0 6 LYS cc_start: 0.9350 (mmtt) cc_final: 0.8982 (mmtt) REVERT: H0 9 LYS cc_start: 0.9262 (tptt) cc_final: 0.8875 (tptt) REVERT: H1 12 LYS cc_start: 0.9272 (tmmt) cc_final: 0.8996 (tmmt) REVERT: H1 13 ASP cc_start: 0.8859 (t0) cc_final: 0.8574 (t0) REVERT: H4 2 GLU cc_start: 0.8866 (tp30) cc_final: 0.8525 (tp30) REVERT: H4 6 LYS cc_start: 0.9338 (mmtt) cc_final: 0.9097 (mmtt) REVERT: H4 9 LYS cc_start: 0.9193 (tptt) cc_final: 0.8516 (tptt) REVERT: H4 13 ASP cc_start: 0.8651 (m-30) cc_final: 0.7829 (m-30) REVERT: H5 6 LYS cc_start: 0.9201 (ptpt) cc_final: 0.8947 (ptpp) REVERT: H5 21 ASN cc_start: 0.7367 (OUTLIER) cc_final: 0.7165 (p0) REVERT: H6 12 LYS cc_start: 0.9004 (tttp) cc_final: 0.8799 (tttm) REVERT: H7 1 MET cc_start: 0.7092 (ptt) cc_final: 0.6863 (ptt) REVERT: H7 12 LYS cc_start: 0.9032 (tptm) cc_final: 0.8692 (tppt) REVERT: H8 9 LYS cc_start: 0.9192 (tptm) cc_final: 0.8810 (tptm) REVERT: H9 6 LYS cc_start: 0.9295 (ptmt) cc_final: 0.8929 (ptmt) REVERT: H9 21 ASN cc_start: 0.7531 (OUTLIER) cc_final: 0.7250 (p0) REVERT: IA 1 MET cc_start: 0.6062 (OUTLIER) cc_final: 0.5599 (ttt) REVERT: IC 9 LYS cc_start: 0.9086 (tptt) cc_final: 0.8613 (tptp) REVERT: IC 13 ASP cc_start: 0.8595 (m-30) cc_final: 0.7848 (m-30) REVERT: ID 1 MET cc_start: 0.6971 (mtm) cc_final: 0.6691 (mtm) REVERT: IF 12 LYS cc_start: 0.9245 (ttpt) cc_final: 0.8933 (tptp) REVERT: IG 9 LYS cc_start: 0.9175 (tptm) cc_final: 0.8795 (tptt) REVERT: IG 13 ASP cc_start: 0.8910 (m-30) cc_final: 0.8268 (m-30) REVERT: IH 6 LYS cc_start: 0.9239 (ptpt) cc_final: 0.8936 (ptpp) REVERT: II 1 MET cc_start: 0.7102 (tmm) cc_final: 0.6830 (tmm) REVERT: IJ 12 LYS cc_start: 0.9259 (ttpt) cc_final: 0.8663 (tppt) REVERT: IK 9 LYS cc_start: 0.9159 (tptt) cc_final: 0.8611 (tptp) REVERT: IK 13 ASP cc_start: 0.8747 (m-30) cc_final: 0.7559 (m-30) REVERT: IL 6 LYS cc_start: 0.9257 (ptpt) cc_final: 0.9004 (ptpp) REVERT: IL 15 LEU cc_start: 0.8840 (OUTLIER) cc_final: 0.8533 (tp) REVERT: IL 21 ASN cc_start: 0.7579 (p0) cc_final: 0.7213 (p0) REVERT: IM 2 GLU cc_start: 0.8269 (tt0) cc_final: 0.8009 (tt0) REVERT: IO 2 GLU cc_start: 0.8723 (tp30) cc_final: 0.8018 (tp30) REVERT: IO 6 LYS cc_start: 0.9026 (mtpp) cc_final: 0.8296 (mttm) REVERT: IO 9 LYS cc_start: 0.9215 (tptt) cc_final: 0.8605 (tptm) REVERT: IO 13 ASP cc_start: 0.8793 (m-30) cc_final: 0.7841 (m-30) REVERT: IP 1 MET cc_start: 0.7351 (mtm) cc_final: 0.6991 (mtm) REVERT: IP 6 LYS cc_start: 0.9246 (ptpt) cc_final: 0.8941 (ptpp) REVERT: IP 12 LYS cc_start: 0.9321 (ttpt) cc_final: 0.9022 (tmmt) REVERT: IQ 3 PHE cc_start: 0.8940 (m-80) cc_final: 0.8401 (m-10) REVERT: IQ 9 LYS cc_start: 0.9329 (tppt) cc_final: 0.8900 (tppt) REVERT: IR 1 MET cc_start: 0.7318 (ptm) cc_final: 0.7089 (ptm) REVERT: IR 11 PHE cc_start: 0.8874 (m-10) cc_final: 0.8580 (m-80) REVERT: IR 12 LYS cc_start: 0.9122 (tttt) cc_final: 0.8689 (tppt) REVERT: IS 2 GLU cc_start: 0.8674 (tp30) cc_final: 0.8381 (tp30) REVERT: IS 6 LYS cc_start: 0.9211 (mmtm) cc_final: 0.8860 (mmtm) REVERT: IS 9 LYS cc_start: 0.9188 (tptt) cc_final: 0.8902 (tptm) REVERT: IS 13 ASP cc_start: 0.8754 (m-30) cc_final: 0.8158 (m-30) REVERT: IT 6 LYS cc_start: 0.9326 (ptmt) cc_final: 0.9062 (ptpp) REVERT: IW 9 LYS cc_start: 0.9246 (tptm) cc_final: 0.8707 (tptt) REVERT: IW 13 ASP cc_start: 0.8945 (m-30) cc_final: 0.8277 (m-30) REVERT: IX 12 LYS cc_start: 0.9261 (tmmt) cc_final: 0.9012 (tmmt) REVERT: IZ 12 LYS cc_start: 0.9222 (tttm) cc_final: 0.8862 (tppt) REVERT: I0 9 LYS cc_start: 0.9275 (tptm) cc_final: 0.8846 (tptt) REVERT: I1 1 MET cc_start: 0.7034 (mtm) cc_final: 0.6779 (mmm) REVERT: I4 9 LYS cc_start: 0.9076 (tptm) cc_final: 0.8819 (tptt) REVERT: I9 6 LYS cc_start: 0.9236 (ptmt) cc_final: 0.8928 (ptpp) REVERT: JD 12 LYS cc_start: 0.9307 (tmmt) cc_final: 0.9033 (tmmt) REVERT: JD 21 ASN cc_start: 0.7447 (p0) cc_final: 0.7041 (p0) REVERT: JE 1 MET cc_start: 0.6000 (ttm) cc_final: 0.5743 (ttt) REVERT: JF 2 GLU cc_start: 0.8222 (pm20) cc_final: 0.7878 (pm20) REVERT: JF 12 LYS cc_start: 0.9183 (tptm) cc_final: 0.8654 (tppt) REVERT: JG 2 GLU cc_start: 0.8404 (tp30) cc_final: 0.8171 (tp30) REVERT: JG 9 LYS cc_start: 0.9278 (tptm) cc_final: 0.8843 (tppt) REVERT: JG 13 ASP cc_start: 0.8865 (OUTLIER) cc_final: 0.8357 (m-30) REVERT: JH 12 LYS cc_start: 0.9318 (tmmt) cc_final: 0.8992 (tmmt) REVERT: JH 18 PHE cc_start: 0.8883 (t80) cc_final: 0.8524 (t80) REVERT: JJ 2 GLU cc_start: 0.8364 (pm20) cc_final: 0.8133 (pm20) REVERT: JK 9 LYS cc_start: 0.9165 (tptt) cc_final: 0.8919 (tptm) REVERT: JK 18 PHE cc_start: 0.8730 (OUTLIER) cc_final: 0.8192 (t80) REVERT: JL 13 ASP cc_start: 0.8833 (t70) cc_final: 0.8429 (t0) REVERT: JN 13 ASP cc_start: 0.9034 (t0) cc_final: 0.8470 (t0) REVERT: JO 2 GLU cc_start: 0.8750 (tp30) cc_final: 0.8415 (tp30) REVERT: JO 9 LYS cc_start: 0.9191 (tptm) cc_final: 0.8464 (tptm) REVERT: JO 13 ASP cc_start: 0.8812 (m-30) cc_final: 0.7860 (m-30) REVERT: JP 12 LYS cc_start: 0.9382 (tmmt) cc_final: 0.9140 (tmmt) REVERT: JP 13 ASP cc_start: 0.8852 (t0) cc_final: 0.8624 (t0) REVERT: JQ 1 MET cc_start: 0.6965 (tmm) cc_final: 0.6083 (tmm) REVERT: JS 9 LYS cc_start: 0.9267 (tptm) cc_final: 0.9040 (tptm) REVERT: JT 6 LYS cc_start: 0.9237 (ptpt) cc_final: 0.8917 (pttt) REVERT: JW 9 LYS cc_start: 0.8999 (tptt) cc_final: 0.8511 (tptm) REVERT: JW 13 ASP cc_start: 0.8593 (m-30) cc_final: 0.7693 (m-30) REVERT: JX 1 MET cc_start: 0.7066 (mtm) cc_final: 0.6727 (mtm) REVERT: JX 13 ASP cc_start: 0.8821 (t0) cc_final: 0.8563 (t70) REVERT: JY 3 PHE cc_start: 0.8571 (m-80) cc_final: 0.8140 (m-80) REVERT: J0 9 LYS cc_start: 0.9189 (tptm) cc_final: 0.8828 (tptt) REVERT: J0 13 ASP cc_start: 0.8880 (m-30) cc_final: 0.8543 (m-30) REVERT: J0 17 LYS cc_start: 0.9182 (mtpp) cc_final: 0.8950 (mtpt) REVERT: J4 9 LYS cc_start: 0.9208 (tptm) cc_final: 0.8545 (tptt) REVERT: J4 13 ASP cc_start: 0.8645 (m-30) cc_final: 0.7258 (m-30) REVERT: J5 13 ASP cc_start: 0.8891 (t0) cc_final: 0.8688 (t0) REVERT: J6 1 MET cc_start: 0.5382 (tmm) cc_final: 0.4824 (tmm) REVERT: J8 6 LYS cc_start: 0.9237 (mttm) cc_final: 0.8918 (mttm) REVERT: J8 9 LYS cc_start: 0.9255 (tptm) cc_final: 0.8866 (tptp) REVERT: J8 19 LEU cc_start: 0.8013 (OUTLIER) cc_final: 0.7720 (tt) REVERT: KC 9 LYS cc_start: 0.9212 (tptt) cc_final: 0.8821 (tptt) REVERT: KD 6 LYS cc_start: 0.9339 (ptpt) cc_final: 0.9078 (ptpp) REVERT: KD 13 ASP cc_start: 0.8901 (t0) cc_final: 0.8460 (t0) REVERT: KF 13 ASP cc_start: 0.8692 (t0) cc_final: 0.8364 (t0) REVERT: KG 2 GLU cc_start: 0.8733 (tp30) cc_final: 0.8220 (tp30) REVERT: KG 6 LYS cc_start: 0.9357 (mmtt) cc_final: 0.8874 (mmtm) REVERT: KG 9 LYS cc_start: 0.9028 (tptm) cc_final: 0.8578 (tptm) REVERT: KH 1 MET cc_start: 0.6953 (mtm) cc_final: 0.6244 (mtm) REVERT: KH 15 LEU cc_start: 0.8835 (OUTLIER) cc_final: 0.8417 (tp) REVERT: KK 9 LYS cc_start: 0.9166 (tptt) cc_final: 0.8792 (tptp) REVERT: KK 13 ASP cc_start: 0.8824 (m-30) cc_final: 0.7517 (m-30) REVERT: KL 13 ASP cc_start: 0.8749 (t0) cc_final: 0.8485 (t70) REVERT: KO 9 LYS cc_start: 0.9162 (tptt) cc_final: 0.8594 (tptm) REVERT: KO 13 ASP cc_start: 0.8656 (m-30) cc_final: 0.7564 (m-30) REVERT: KO 18 PHE cc_start: 0.8516 (OUTLIER) cc_final: 0.7888 (t80) REVERT: KP 6 LYS cc_start: 0.9197 (ptpt) cc_final: 0.8889 (ptmm) REVERT: KP 12 LYS cc_start: 0.9362 (tmmt) cc_final: 0.9006 (tmmt) REVERT: KR 12 LYS cc_start: 0.9276 (ttpt) cc_final: 0.8890 (tppt) REVERT: KS 9 LYS cc_start: 0.9214 (tptm) cc_final: 0.8865 (tptm) REVERT: KS 13 ASP cc_start: 0.8826 (m-30) cc_final: 0.8431 (m-30) REVERT: KV 13 ASP cc_start: 0.9004 (t0) cc_final: 0.8478 (t0) REVERT: KW 9 LYS cc_start: 0.9250 (tptm) cc_final: 0.8868 (tptt) REVERT: KW 13 ASP cc_start: 0.8819 (m-30) cc_final: 0.8223 (m-30) REVERT: KX 6 LYS cc_start: 0.9158 (ptpp) cc_final: 0.8789 (ptmm) REVERT: KZ 12 LYS cc_start: 0.9169 (tttm) cc_final: 0.8630 (tptp) REVERT: K0 2 GLU cc_start: 0.8864 (tp30) cc_final: 0.8453 (tp30) REVERT: K0 6 LYS cc_start: 0.9352 (mmtt) cc_final: 0.8971 (mmtm) REVERT: K0 9 LYS cc_start: 0.9310 (tptm) cc_final: 0.8909 (tptt) REVERT: K1 1 MET cc_start: 0.7015 (mtm) cc_final: 0.6575 (mtm) REVERT: K1 6 LYS cc_start: 0.9316 (ptmt) cc_final: 0.8954 (ptpp) REVERT: K1 13 ASP cc_start: 0.8698 (t0) cc_final: 0.8417 (t0) REVERT: K3 12 LYS cc_start: 0.9184 (tttm) cc_final: 0.8896 (tppt) REVERT: K4 1 MET cc_start: 0.7319 (pmm) cc_final: 0.6503 (pmm) REVERT: K4 2 GLU cc_start: 0.8537 (tp30) cc_final: 0.8120 (tp30) REVERT: K5 12 LYS cc_start: 0.9256 (tmmt) cc_final: 0.9031 (tmmt) REVERT: K8 1 MET cc_start: 0.7476 (pmm) cc_final: 0.6361 (pmm) REVERT: K8 9 LYS cc_start: 0.9172 (tptt) cc_final: 0.8833 (tptp) REVERT: LA 12 LYS cc_start: 0.9031 (tttp) cc_final: 0.8600 (tptm) REVERT: LC 9 LYS cc_start: 0.9217 (tptm) cc_final: 0.8799 (tptt) REVERT: LC 13 ASP cc_start: 0.8822 (m-30) cc_final: 0.8540 (m-30) REVERT: LD 13 ASP cc_start: 0.8781 (t0) cc_final: 0.8563 (t0) REVERT: LE 3 PHE cc_start: 0.9074 (m-80) cc_final: 0.8666 (m-10) REVERT: LG 1 MET cc_start: 0.7209 (pmm) cc_final: 0.6492 (pmm) REVERT: LG 9 LYS cc_start: 0.9172 (tptt) cc_final: 0.8897 (tptt) REVERT: LH 6 LYS cc_start: 0.9220 (ptpp) cc_final: 0.8960 (ptmm) REVERT: LI 9 LYS cc_start: 0.9168 (tppt) cc_final: 0.8891 (tppt) REVERT: LK 2 GLU cc_start: 0.8823 (tp30) cc_final: 0.8273 (tp30) REVERT: LK 6 LYS cc_start: 0.9373 (mmtt) cc_final: 0.8884 (mmtm) REVERT: LK 9 LYS cc_start: 0.9085 (tptm) cc_final: 0.8849 (tptm) REVERT: LK 13 ASP cc_start: 0.8835 (m-30) cc_final: 0.8498 (m-30) REVERT: LL 12 LYS cc_start: 0.9335 (tmmt) cc_final: 0.9064 (tmmt) REVERT: LO 1 MET cc_start: 0.7383 (pmm) cc_final: 0.6870 (pmm) REVERT: LO 2 GLU cc_start: 0.8676 (tp30) cc_final: 0.8465 (tp30) REVERT: LO 17 LYS cc_start: 0.8935 (mtpt) cc_final: 0.8681 (mtpt) REVERT: LP 11 PHE cc_start: 0.8331 (m-80) cc_final: 0.7622 (t80) REVERT: LS 9 LYS cc_start: 0.9170 (tptt) cc_final: 0.8622 (tptt) REVERT: LS 13 ASP cc_start: 0.8677 (m-30) cc_final: 0.7391 (m-30) REVERT: LW 9 LYS cc_start: 0.9207 (tptt) cc_final: 0.8986 (tptm) REVERT: LW 17 LYS cc_start: 0.9161 (mtpt) cc_final: 0.8861 (tttm) REVERT: LX 6 LYS cc_start: 0.9308 (ptmt) cc_final: 0.9049 (ptpp) REVERT: LX 12 LYS cc_start: 0.9378 (tmmt) cc_final: 0.9034 (tmmt) REVERT: LZ 12 LYS cc_start: 0.9079 (ttpt) cc_final: 0.8676 (tppt) REVERT: L0 19 LEU cc_start: 0.7830 (OUTLIER) cc_final: 0.7527 (tt) REVERT: L1 6 LYS cc_start: 0.9065 (ptpp) cc_final: 0.8847 (ptmm) REVERT: L4 6 LYS cc_start: 0.9315 (mmtm) cc_final: 0.9031 (mmtp) REVERT: L5 1 MET cc_start: 0.6952 (mtm) cc_final: 0.6700 (mtm) REVERT: L7 12 LYS cc_start: 0.9261 (ttpt) cc_final: 0.8700 (tppt) REVERT: L7 13 ASP cc_start: 0.9033 (t0) cc_final: 0.8680 (t0) REVERT: L8 9 LYS cc_start: 0.9222 (tptm) cc_final: 0.8459 (tptm) REVERT: L8 13 ASP cc_start: 0.8801 (m-30) cc_final: 0.7954 (m-30) REVERT: L9 6 LYS cc_start: 0.9284 (ptpt) cc_final: 0.8951 (ptpp) REVERT: MA 1 MET cc_start: 0.7405 (ttp) cc_final: 0.7089 (ttm) REVERT: MB 9 LYS cc_start: 0.9229 (tppt) cc_final: 0.9011 (ttmm) REVERT: MC 2 GLU cc_start: 0.8831 (tp30) cc_final: 0.8582 (tp30) REVERT: MC 9 LYS cc_start: 0.9294 (tptm) cc_final: 0.8945 (tptt) REVERT: MD 6 LYS cc_start: 0.9260 (ptmt) cc_final: 0.8909 (ptpp) REVERT: MD 12 LYS cc_start: 0.9431 (ttpt) cc_final: 0.9043 (tmmt) REVERT: MD 13 ASP cc_start: 0.8783 (t0) cc_final: 0.8477 (t0) REVERT: MG 2 GLU cc_start: 0.8581 (tp30) cc_final: 0.7973 (tp30) REVERT: MG 6 LYS cc_start: 0.9283 (mmtm) cc_final: 0.8876 (mmtp) REVERT: MG 13 ASP cc_start: 0.8689 (m-30) cc_final: 0.8143 (m-30) REVERT: MH 6 LYS cc_start: 0.9276 (ptmt) cc_final: 0.9044 (ptpp) REVERT: MH 13 ASP cc_start: 0.8877 (t0) cc_final: 0.8534 (t0) REVERT: MK 6 LYS cc_start: 0.9234 (mmtm) cc_final: 0.8895 (mmtm) REVERT: ML 6 LYS cc_start: 0.9167 (ptpp) cc_final: 0.8878 (ptmm) REVERT: ML 12 LYS cc_start: 0.9369 (tmmt) cc_final: 0.9045 (tmmt) REVERT: MO 2 GLU cc_start: 0.8569 (tp30) cc_final: 0.8326 (tp30) REVERT: MO 9 LYS cc_start: 0.9116 (tptt) cc_final: 0.8624 (tptp) REVERT: MO 13 ASP cc_start: 0.8755 (m-30) cc_final: 0.7983 (m-30) REVERT: MR 2 GLU cc_start: 0.8383 (pm20) cc_final: 0.8114 (pm20) REVERT: MR 11 PHE cc_start: 0.9028 (m-10) cc_final: 0.8673 (m-80) REVERT: MT 21 ASN cc_start: 0.7026 (p0) cc_final: 0.6617 (p0) REVERT: MW 9 LYS cc_start: 0.9269 (tptm) cc_final: 0.8820 (tptt) REVERT: MW 13 ASP cc_start: 0.8786 (m-30) cc_final: 0.8061 (m-30) REVERT: MX 12 LYS cc_start: 0.9263 (tmmt) cc_final: 0.8951 (tmmt) REVERT: MZ 1 MET cc_start: 0.7790 (ptt) cc_final: 0.7408 (ptt) REVERT: M0 2 GLU cc_start: 0.8855 (tp30) cc_final: 0.8246 (tp30) REVERT: M0 6 LYS cc_start: 0.9056 (ttmm) cc_final: 0.8825 (mmtp) REVERT: M0 9 LYS cc_start: 0.9092 (tptt) cc_final: 0.8687 (tptp) REVERT: M0 13 ASP cc_start: 0.8743 (m-30) cc_final: 0.8067 (m-30) REVERT: M1 1 MET cc_start: 0.7157 (mtm) cc_final: 0.6941 (mtp) REVERT: M1 6 LYS cc_start: 0.9265 (ptmt) cc_final: 0.9025 (ptpp) REVERT: M4 9 LYS cc_start: 0.9225 (tptt) cc_final: 0.8915 (tptt) REVERT: M5 12 LYS cc_start: 0.9401 (tttm) cc_final: 0.9134 (tmmt) REVERT: M6 1 MET cc_start: 0.6685 (ttm) cc_final: 0.6179 (ttt) REVERT: M8 2 GLU cc_start: 0.8607 (tp30) cc_final: 0.8197 (tp30) REVERT: M8 6 LYS cc_start: 0.9034 (mtpp) cc_final: 0.8690 (mttm) REVERT: M9 6 LYS cc_start: 0.9194 (ptpt) cc_final: 0.8907 (ptpp) REVERT: NB 2 GLU cc_start: 0.8577 (pm20) cc_final: 0.8332 (pm20) REVERT: NB 12 LYS cc_start: 0.9295 (ttpt) cc_final: 0.8892 (tppt) REVERT: NC 9 LYS cc_start: 0.9197 (tptt) cc_final: 0.8954 (tptm) REVERT: ND 6 LYS cc_start: 0.9332 (ptmt) cc_final: 0.8919 (ptpp) REVERT: ND 13 ASP cc_start: 0.8846 (t0) cc_final: 0.8531 (t0) REVERT: NF 13 ASP cc_start: 0.8926 (t0) cc_final: 0.8288 (t0) REVERT: NG 9 LYS cc_start: 0.9301 (tptm) cc_final: 0.8978 (tppt) REVERT: NK 1 MET cc_start: 0.7130 (pmm) cc_final: 0.6632 (pmm) REVERT: NK 9 LYS cc_start: 0.9211 (tptm) cc_final: 0.8738 (tptt) REVERT: NL 6 LYS cc_start: 0.9213 (ptpt) cc_final: 0.8938 (pttt) REVERT: NL 13 ASP cc_start: 0.8863 (t0) cc_final: 0.8571 (t0) REVERT: NL 21 ASN cc_start: 0.7330 (p0) cc_final: 0.7057 (p0) REVERT: NM 9 LYS cc_start: 0.9278 (tppt) cc_final: 0.9040 (tppt) REVERT: NO 2 GLU cc_start: 0.8720 (tp30) cc_final: 0.8269 (tp30) REVERT: NO 6 LYS cc_start: 0.9282 (mmtt) cc_final: 0.8915 (mmtt) REVERT: NO 9 LYS cc_start: 0.9197 (tptt) cc_final: 0.8549 (tptp) REVERT: NO 13 ASP cc_start: 0.8647 (m-30) cc_final: 0.7693 (m-30) REVERT: NQ 1 MET cc_start: 0.7250 (ttt) cc_final: 0.6854 (ttt) REVERT: NQ 2 GLU cc_start: 0.7419 (pp20) cc_final: 0.6340 (pp20) REVERT: NS 9 LYS cc_start: 0.9240 (tppp) cc_final: 0.8888 (tppt) REVERT: NS 17 LYS cc_start: 0.8989 (mtpt) cc_final: 0.8740 (mtpt) REVERT: NT 6 LYS cc_start: 0.9291 (ptmt) cc_final: 0.8944 (ptmt) REVERT: NT 13 ASP cc_start: 0.8797 (t0) cc_final: 0.8447 (t0) REVERT: NW 2 GLU cc_start: 0.8780 (tp30) cc_final: 0.8569 (tp30) REVERT: NW 6 LYS cc_start: 0.9201 (mmtm) cc_final: 0.8816 (mmtp) REVERT: N0 2 GLU cc_start: 0.8811 (tp30) cc_final: 0.8394 (tp30) REVERT: N0 6 LYS cc_start: 0.9371 (mmtm) cc_final: 0.9111 (mmtt) REVERT: N0 13 ASP cc_start: 0.8530 (m-30) cc_final: 0.8194 (m-30) REVERT: N1 18 PHE cc_start: 0.8838 (t80) cc_final: 0.8362 (t80) REVERT: N4 2 GLU cc_start: 0.8775 (tp30) cc_final: 0.8293 (tp30) REVERT: N4 6 LYS cc_start: 0.9175 (mmtp) cc_final: 0.8732 (mttm) REVERT: N4 9 LYS cc_start: 0.9196 (tptm) cc_final: 0.8869 (tptt) REVERT: N5 1 MET cc_start: 0.7449 (mtm) cc_final: 0.7196 (mtp) REVERT: N6 1 MET cc_start: 0.7130 (ttt) cc_final: 0.6560 (ttt) REVERT: N7 12 LYS cc_start: 0.9208 (ttpt) cc_final: 0.8585 (tppt) REVERT: N8 9 LYS cc_start: 0.9087 (tptt) cc_final: 0.8783 (tptm) REVERT: N8 13 ASP cc_start: 0.8608 (m-30) cc_final: 0.8080 (m-30) REVERT: N9 12 LYS cc_start: 0.9257 (tmmt) cc_final: 0.9019 (tmmt) REVERT: N9 13 ASP cc_start: 0.8846 (t0) cc_final: 0.8495 (t0) REVERT: N9 21 ASN cc_start: 0.7587 (OUTLIER) cc_final: 0.7240 (p0) REVERT: OC 9 LYS cc_start: 0.9309 (tptm) cc_final: 0.8736 (tptp) REVERT: OC 13 ASP cc_start: 0.8777 (OUTLIER) cc_final: 0.8020 (m-30) REVERT: OD 6 LYS cc_start: 0.9192 (ptmt) cc_final: 0.8920 (ptpp) REVERT: OE 9 LYS cc_start: 0.9241 (tppt) cc_final: 0.8975 (tppt) REVERT: OF 12 LYS cc_start: 0.9165 (tttm) cc_final: 0.8866 (tppt) REVERT: OG 9 LYS cc_start: 0.8968 (tptp) cc_final: 0.8657 (tptt) REVERT: OH 1 MET cc_start: 0.7088 (mtm) cc_final: 0.6881 (mtm) REVERT: OH 6 LYS cc_start: 0.9291 (ptmt) cc_final: 0.8927 (ptmt) REVERT: OJ 12 LYS cc_start: 0.9340 (OUTLIER) cc_final: 0.8583 (tptp) REVERT: OK 2 GLU cc_start: 0.8685 (tp30) cc_final: 0.8314 (tp30) REVERT: OL 15 LEU cc_start: 0.8863 (OUTLIER) cc_final: 0.8611 (tt) REVERT: OO 9 LYS cc_start: 0.9129 (tptt) cc_final: 0.8755 (tptt) REVERT: OP 1 MET cc_start: 0.7128 (mtm) cc_final: 0.6678 (mtm) REVERT: OP 6 LYS cc_start: 0.9210 (ptmt) cc_final: 0.8941 (ptpp) REVERT: OR 12 LYS cc_start: 0.9303 (ttpt) cc_final: 0.8706 (tptp) REVERT: OR 13 ASP cc_start: 0.8971 (t0) cc_final: 0.8297 (t0) REVERT: OS 9 LYS cc_start: 0.9234 (tptm) cc_final: 0.8877 (tptt) REVERT: OT 1 MET cc_start: 0.7275 (mtm) cc_final: 0.6784 (mtm) REVERT: OT 15 LEU cc_start: 0.8988 (OUTLIER) cc_final: 0.8487 (tp) REVERT: OV 9 LYS cc_start: 0.8993 (ttmm) cc_final: 0.8744 (tppt) REVERT: OX 6 LYS cc_start: 0.9265 (ptmt) cc_final: 0.8937 (ptpp) REVERT: O0 13 ASP cc_start: 0.8632 (OUTLIER) cc_final: 0.8397 (m-30) REVERT: O1 6 LYS cc_start: 0.9334 (ptmt) cc_final: 0.9098 (ptpp) REVERT: O1 12 LYS cc_start: 0.9279 (tmmt) cc_final: 0.9013 (tmmt) REVERT: O3 6 LYS cc_start: 0.9192 (ttmm) cc_final: 0.8972 (mtmm) REVERT: O3 12 LYS cc_start: 0.9203 (ttpt) cc_final: 0.8750 (tppt) REVERT: O4 1 MET cc_start: 0.4170 (OUTLIER) cc_final: 0.3910 (mtt) REVERT: O4 17 LYS cc_start: 0.9154 (mtpp) cc_final: 0.8858 (mtpp) REVERT: O5 6 LYS cc_start: 0.9334 (ptpt) cc_final: 0.9060 (pttt) REVERT: O5 12 LYS cc_start: 0.9305 (tmmt) cc_final: 0.9023 (tmmt) REVERT: O5 13 ASP cc_start: 0.8753 (t0) cc_final: 0.8545 (t70) REVERT: O8 9 LYS cc_start: 0.9178 (tptt) cc_final: 0.8746 (tptp) REVERT: O8 13 ASP cc_start: 0.8597 (m-30) cc_final: 0.7668 (m-30) REVERT: O8 15 LEU cc_start: 0.8394 (OUTLIER) cc_final: 0.8192 (tp) REVERT: PC 2 GLU cc_start: 0.8821 (tp30) cc_final: 0.8434 (tp30) REVERT: PC 9 LYS cc_start: 0.9186 (tptm) cc_final: 0.8415 (tptm) REVERT: PC 13 ASP cc_start: 0.8833 (m-30) cc_final: 0.7981 (m-30) REVERT: PF 15 LEU cc_start: 0.9645 (tp) cc_final: 0.9437 (tp) REVERT: PH 6 LYS cc_start: 0.9067 (ptpp) cc_final: 0.8692 (ptmm) REVERT: PK 13 ASP cc_start: 0.8772 (m-30) cc_final: 0.8502 (m-30) REVERT: PM 1 MET cc_start: 0.6435 (tmm) cc_final: 0.6121 (tmm) REVERT: PO 9 LYS cc_start: 0.9155 (tptt) cc_final: 0.8567 (tptm) REVERT: PO 13 ASP cc_start: 0.8615 (m-30) cc_final: 0.7658 (m-30) REVERT: PP 6 LYS cc_start: 0.9252 (ptmt) cc_final: 0.9014 (ptpp) REVERT: PS 9 LYS cc_start: 0.9249 (tptm) cc_final: 0.8796 (tptm) REVERT: PS 13 ASP cc_start: 0.8896 (m-30) cc_final: 0.8110 (m-30) REVERT: PV 12 LYS cc_start: 0.9278 (tttm) cc_final: 0.8590 (tptp) REVERT: PV 13 ASP cc_start: 0.9048 (t0) cc_final: 0.8408 (t0) REVERT: PW 9 LYS cc_start: 0.9211 (tptt) cc_final: 0.8726 (tptm) REVERT: PW 13 ASP cc_start: 0.8661 (m-30) cc_final: 0.7684 (m-30) REVERT: PX 6 LYS cc_start: 0.9264 (ptmt) cc_final: 0.8863 (ptpp) REVERT: PZ 12 LYS cc_start: 0.9352 (ttpt) cc_final: 0.8953 (tppt) REVERT: P0 9 LYS cc_start: 0.9190 (tptt) cc_final: 0.8872 (tptt) REVERT: P1 15 LEU cc_start: 0.8646 (OUTLIER) cc_final: 0.8399 (tp) REVERT: P3 9 LYS cc_start: 0.9318 (tppt) cc_final: 0.9092 (ttmm) REVERT: P4 2 GLU cc_start: 0.8976 (tp30) cc_final: 0.8713 (tp30) REVERT: P4 9 LYS cc_start: 0.9138 (tptm) cc_final: 0.8292 (tptt) REVERT: P4 13 ASP cc_start: 0.8762 (m-30) cc_final: 0.7562 (m-30) REVERT: P5 12 LYS cc_start: 0.9369 (tmmt) cc_final: 0.9048 (tmmt) REVERT: P7 2 GLU cc_start: 0.8461 (pm20) cc_final: 0.8178 (pm20) REVERT: P8 9 LYS cc_start: 0.9156 (tptm) cc_final: 0.8774 (tptm) REVERT: P8 13 ASP cc_start: 0.8828 (m-30) cc_final: 0.8245 (m-30) REVERT: P9 1 MET cc_start: 0.7293 (mtm) cc_final: 0.6973 (mtm) REVERT: QA 1 MET cc_start: 0.5863 (ttt) cc_final: 0.5409 (ttt) REVERT: QC 2 GLU cc_start: 0.8902 (tp30) cc_final: 0.8326 (tp30) REVERT: QC 9 LYS cc_start: 0.9192 (tptt) cc_final: 0.8805 (tptm) REVERT: QC 13 ASP cc_start: 0.8637 (m-30) cc_final: 0.7916 (m-30) REVERT: QD 6 LYS cc_start: 0.9314 (ptmt) cc_final: 0.9022 (ptpp) REVERT: QD 13 ASP cc_start: 0.8939 (t0) cc_final: 0.8613 (t0) REVERT: QE 1 MET cc_start: 0.6608 (ttt) cc_final: 0.6291 (ttt) REVERT: QG 9 LYS cc_start: 0.9279 (tptt) cc_final: 0.8766 (tptm) REVERT: QG 13 ASP cc_start: 0.8632 (m-30) cc_final: 0.7637 (m-30) REVERT: QH 12 LYS cc_start: 0.9402 (tmmt) cc_final: 0.9130 (tmmt) REVERT: QK 9 LYS cc_start: 0.9123 (tptm) cc_final: 0.8728 (tptm) REVERT: QN 2 GLU cc_start: 0.8383 (pm20) cc_final: 0.7983 (pm20) REVERT: QO 9 LYS cc_start: 0.9146 (tptt) cc_final: 0.8887 (tptm) REVERT: QO 13 ASP cc_start: 0.8655 (m-30) cc_final: 0.8194 (m-30) REVERT: QP 12 LYS cc_start: 0.9343 (tmmt) cc_final: 0.8990 (tmmt) REVERT: QP 15 LEU cc_start: 0.8770 (OUTLIER) cc_final: 0.8462 (tp) REVERT: QQ 1 MET cc_start: 0.6811 (ttp) cc_final: 0.5859 (tmm) REVERT: QS 9 LYS cc_start: 0.9291 (tptm) cc_final: 0.9027 (tppt) REVERT: QS 13 ASP cc_start: 0.8728 (m-30) cc_final: 0.8467 (m-30) REVERT: QT 13 ASP cc_start: 0.8839 (t0) cc_final: 0.8572 (t70) REVERT: QW 9 LYS cc_start: 0.9259 (tptm) cc_final: 0.8461 (tptm) REVERT: QW 13 ASP cc_start: 0.8787 (m-30) cc_final: 0.7976 (m-30) REVERT: QX 1 MET cc_start: 0.7138 (mtm) cc_final: 0.6860 (mtm) REVERT: QX 6 LYS cc_start: 0.9252 (ptmt) cc_final: 0.9044 (ptpp) REVERT: QX 21 ASN cc_start: 0.7562 (p0) cc_final: 0.7265 (p0) REVERT: QZ 12 LYS cc_start: 0.9059 (ttpt) cc_final: 0.8553 (tptp) REVERT: Q0 9 LYS cc_start: 0.9317 (tptm) cc_final: 0.8977 (tptt) REVERT: Q1 13 ASP cc_start: 0.8891 (t0) cc_final: 0.8546 (t0) REVERT: Q1 21 ASN cc_start: 0.7515 (p0) cc_final: 0.7158 (p0) REVERT: Q4 2 GLU cc_start: 0.8930 (tp30) cc_final: 0.8556 (tp30) REVERT: Q4 6 LYS cc_start: 0.9397 (mmtt) cc_final: 0.9079 (mmtp) REVERT: Q4 9 LYS cc_start: 0.9184 (tptt) cc_final: 0.8945 (tptp) REVERT: Q5 13 ASP cc_start: 0.8791 (t0) cc_final: 0.8502 (t0) REVERT: Q6 1 MET cc_start: 0.7109 (ttt) cc_final: 0.6693 (ttt) REVERT: Q7 2 GLU cc_start: 0.8504 (pm20) cc_final: 0.8228 (pm20) REVERT: Q8 2 GLU cc_start: 0.8942 (tp30) cc_final: 0.8169 (tp30) REVERT: Q8 6 LYS cc_start: 0.9442 (mmtt) cc_final: 0.8971 (mmtp) REVERT: Q8 9 LYS cc_start: 0.9229 (tptt) cc_final: 0.8766 (tptt) REVERT: Q8 13 ASP cc_start: 0.8733 (m-30) cc_final: 0.8102 (m-30) REVERT: RA 1 MET cc_start: 0.6238 (OUTLIER) cc_final: 0.5959 (ttm) REVERT: RC 9 LYS cc_start: 0.9236 (tptt) cc_final: 0.9031 (tptm) REVERT: RC 13 ASP cc_start: 0.8631 (m-30) cc_final: 0.8209 (m-30) REVERT: RD 15 LEU cc_start: 0.8779 (OUTLIER) cc_final: 0.8465 (tt) REVERT: RE 1 MET cc_start: 0.6029 (tmm) cc_final: 0.5786 (tmm) REVERT: RF 2 GLU cc_start: 0.8143 (pm20) cc_final: 0.7782 (pm20) REVERT: RG 9 LYS cc_start: 0.9263 (tptt) cc_final: 0.8974 (tptm) REVERT: RG 13 ASP cc_start: 0.8701 (m-30) cc_final: 0.8062 (m-30) REVERT: RH 13 ASP cc_start: 0.8780 (t0) cc_final: 0.8455 (t0) REVERT: RH 18 PHE cc_start: 0.8773 (t80) cc_final: 0.8457 (t80) REVERT: RI 1 MET cc_start: 0.6281 (ttt) cc_final: 0.5989 (ttt) REVERT: RJ 12 LYS cc_start: 0.9139 (tttm) cc_final: 0.8776 (tppt) REVERT: RK 9 LYS cc_start: 0.9138 (tptm) cc_final: 0.8730 (tptt) REVERT: RK 13 ASP cc_start: 0.8764 (m-30) cc_final: 0.8030 (m-30) REVERT: RK 18 PHE cc_start: 0.8829 (OUTLIER) cc_final: 0.8268 (t80) REVERT: RL 13 ASP cc_start: 0.8876 (t0) cc_final: 0.8532 (t0) REVERT: RN 12 LYS cc_start: 0.9033 (tptm) cc_final: 0.8533 (tppt) REVERT: RO 9 LYS cc_start: 0.9191 (tptt) cc_final: 0.8937 (tptt) REVERT: RP 12 LYS cc_start: 0.9465 (tmmt) cc_final: 0.9171 (tmmt) REVERT: RQ 13 ASP cc_start: 0.8432 (OUTLIER) cc_final: 0.8210 (p0) REVERT: RT 6 LYS cc_start: 0.9337 (ptmt) cc_final: 0.9004 (ptpp) REVERT: RU 1 MET cc_start: 0.6523 (tmm) cc_final: 0.6192 (tmm) REVERT: RV 2 GLU cc_start: 0.8320 (pm20) cc_final: 0.7850 (pm20) REVERT: RV 12 LYS cc_start: 0.9185 (tttt) cc_final: 0.8543 (tptp) REVERT: RW 1 MET cc_start: 0.3856 (OUTLIER) cc_final: 0.2696 (mmt) REVERT: RW 13 ASP cc_start: 0.8605 (m-30) cc_final: 0.8369 (m-30) REVERT: RX 12 LYS cc_start: 0.9264 (tmmt) cc_final: 0.8967 (tmmt) REVERT: RY 1 MET cc_start: 0.6468 (ttt) cc_final: 0.6040 (ttt) REVERT: R1 6 LYS cc_start: 0.9306 (ptmt) cc_final: 0.9064 (ptpp) REVERT: R3 2 GLU cc_start: 0.8533 (pm20) cc_final: 0.8221 (pm20) REVERT: R3 9 LYS cc_start: 0.9265 (tppt) cc_final: 0.9055 (ttmm) REVERT: R4 9 LYS cc_start: 0.9252 (tptm) cc_final: 0.9019 (tptm) REVERT: R4 13 ASP cc_start: 0.8874 (OUTLIER) cc_final: 0.8613 (m-30) REVERT: R5 6 LYS cc_start: 0.9287 (ptmt) cc_final: 0.8991 (ptmt) REVERT: R5 13 ASP cc_start: 0.8973 (t0) cc_final: 0.8565 (t0) REVERT: R8 9 LYS cc_start: 0.9230 (tptm) cc_final: 0.8534 (tptp) REVERT: R8 13 ASP cc_start: 0.8859 (OUTLIER) cc_final: 0.7761 (m-30) REVERT: R9 12 LYS cc_start: 0.9347 (tmmt) cc_final: 0.9111 (tmmt) REVERT: SC 9 LYS cc_start: 0.9252 (tptt) cc_final: 0.8847 (tptm) REVERT: SC 13 ASP cc_start: 0.8582 (m-30) cc_final: 0.7930 (m-30) REVERT: SC 17 LYS cc_start: 0.9111 (mtpt) cc_final: 0.8817 (mtpt) REVERT: SD 6 LYS cc_start: 0.9232 (ptpt) cc_final: 0.9020 (ptpp) REVERT: SE 13 ASP cc_start: 0.8974 (t0) cc_final: 0.8674 (t0) REVERT: SG 2 GLU cc_start: 0.9095 (tp30) cc_final: 0.8638 (tp30) REVERT: SG 6 LYS cc_start: 0.9373 (mmtt) cc_final: 0.9057 (mmtp) REVERT: SG 9 LYS cc_start: 0.9239 (tptm) cc_final: 0.8886 (tptm) REVERT: SG 13 ASP cc_start: 0.8614 (m-30) cc_final: 0.7696 (m-30) REVERT: SG 18 PHE cc_start: 0.8683 (OUTLIER) cc_final: 0.8098 (t80) REVERT: SI 13 ASP cc_start: 0.8391 (OUTLIER) cc_final: 0.8167 (p0) REVERT: SK 2 GLU cc_start: 0.8683 (tp30) cc_final: 0.7998 (tp30) REVERT: SK 6 LYS cc_start: 0.9352 (mmtm) cc_final: 0.8888 (mtpp) REVERT: SK 9 LYS cc_start: 0.9284 (tptm) cc_final: 0.8816 (tptt) REVERT: SK 13 ASP cc_start: 0.8715 (m-30) cc_final: 0.8267 (m-30) REVERT: SO 13 ASP cc_start: 0.8786 (m-30) cc_final: 0.8579 (m-30) REVERT: SP 1 MET cc_start: 0.7306 (mtm) cc_final: 0.7009 (mtm) REVERT: SP 6 LYS cc_start: 0.9051 (ptpp) cc_final: 0.8821 (ptmm) REVERT: SP 12 LYS cc_start: 0.9377 (tmmt) cc_final: 0.9048 (tmmt) REVERT: SQ 1 MET cc_start: 0.7826 (ttm) cc_final: 0.6702 (ttm) REVERT: SS 9 LYS cc_start: 0.9151 (tptm) cc_final: 0.8649 (tptt) REVERT: SS 19 LEU cc_start: 0.7801 (OUTLIER) cc_final: 0.7525 (tt) REVERT: ST 13 ASP cc_start: 0.8815 (t0) cc_final: 0.8537 (t0) REVERT: SU 8 PHE cc_start: 0.9195 (m-80) cc_final: 0.8806 (m-80) REVERT: SV 12 LYS cc_start: 0.9293 (ttpt) cc_final: 0.8878 (tppt) REVERT: SW 9 LYS cc_start: 0.9113 (tptm) cc_final: 0.8781 (tptm) REVERT: SW 13 ASP cc_start: 0.8857 (m-30) cc_final: 0.8474 (m-30) REVERT: SX 6 LYS cc_start: 0.9220 (ptmt) cc_final: 0.8962 (ptpp) REVERT: SZ 11 PHE cc_start: 0.9225 (m-10) cc_final: 0.9000 (m-80) REVERT: S0 13 ASP cc_start: 0.8720 (m-30) cc_final: 0.8435 (m-30) REVERT: S1 6 LYS cc_start: 0.9223 (ptpt) cc_final: 0.8853 (ptmt) REVERT: S4 2 GLU cc_start: 0.8816 (tp30) cc_final: 0.8442 (tp30) REVERT: S4 6 LYS cc_start: 0.9267 (mmtp) cc_final: 0.9002 (mmtp) REVERT: S4 9 LYS cc_start: 0.9226 (tptm) cc_final: 0.8951 (tptm) REVERT: S4 18 PHE cc_start: 0.8795 (OUTLIER) cc_final: 0.8375 (t80) REVERT: S5 6 LYS cc_start: 0.9276 (ptmt) cc_final: 0.8866 (ptpp) REVERT: S6 13 ASP cc_start: 0.8823 (t0) cc_final: 0.8521 (p0) REVERT: S7 11 PHE cc_start: 0.9080 (m-10) cc_final: 0.8799 (m-80) REVERT: S8 2 GLU cc_start: 0.8696 (tp30) cc_final: 0.8422 (tp30) REVERT: S8 13 ASP cc_start: 0.8718 (m-30) cc_final: 0.8496 (m-30) REVERT: TB 9 LYS cc_start: 0.9285 (tppt) cc_final: 0.9070 (ttmm) REVERT: TE 1 MET cc_start: 0.7130 (ttt) cc_final: 0.6773 (tpp) REVERT: TE 13 ASP cc_start: 0.8735 (OUTLIER) cc_final: 0.8475 (p0) REVERT: TE 18 PHE cc_start: 0.8690 (t80) cc_final: 0.8452 (t80) REVERT: TF 9 LYS cc_start: 0.9258 (tppt) cc_final: 0.9012 (ttmm) REVERT: TG 9 LYS cc_start: 0.9302 (tptm) cc_final: 0.8959 (tptm) REVERT: TK 9 LYS cc_start: 0.9210 (tptt) cc_final: 0.8880 (tptm) REVERT: TK 12 LYS cc_start: 0.9065 (ttmt) cc_final: 0.8631 (mptt) REVERT: TK 13 ASP cc_start: 0.8733 (m-30) cc_final: 0.8032 (m-30) REVERT: TL 6 LYS cc_start: 0.9249 (ptmt) cc_final: 0.8917 (ptpp) REVERT: TO 9 LYS cc_start: 0.9214 (tptt) cc_final: 0.8857 (tptt) REVERT: TO 12 LYS cc_start: 0.9162 (ttmt) cc_final: 0.8919 (mptt) REVERT: TO 17 LYS cc_start: 0.9163 (mtpp) cc_final: 0.8835 (mtpp) REVERT: TP 6 LYS cc_start: 0.9100 (ptpt) cc_final: 0.8853 (pttt) REVERT: TP 13 ASP cc_start: 0.8684 (t0) cc_final: 0.8339 (t0) REVERT: TR 12 LYS cc_start: 0.9136 (tttm) cc_final: 0.8725 (tptt) REVERT: TS 13 ASP cc_start: 0.8563 (m-30) cc_final: 0.8313 (m-30) REVERT: TT 6 LYS cc_start: 0.9127 (ptpt) cc_final: 0.8823 (ptmt) REVERT: TU 19 LEU cc_start: 0.8529 (pp) cc_final: 0.8283 (mt) REVERT: TV 12 LYS cc_start: 0.9102 (tttm) cc_final: 0.8673 (tppt) REVERT: TW 9 LYS cc_start: 0.9163 (tptt) cc_final: 0.8908 (tptm) REVERT: TW 12 LYS cc_start: 0.9082 (ttmt) cc_final: 0.8782 (mptt) REVERT: TW 13 ASP cc_start: 0.8683 (m-30) cc_final: 0.8061 (m-30) REVERT: TZ 2 GLU cc_start: 0.8416 (pm20) cc_final: 0.8168 (pm20) REVERT: T0 9 LYS cc_start: 0.9160 (tptm) cc_final: 0.8870 (tptm) REVERT: T0 12 LYS cc_start: 0.9059 (ttmt) cc_final: 0.8619 (mptt) REVERT: T4 9 LYS cc_start: 0.9299 (tptt) cc_final: 0.8903 (tptp) REVERT: T4 13 ASP cc_start: 0.8581 (m-30) cc_final: 0.7485 (m-30) REVERT: T5 1 MET cc_start: 0.7172 (mtm) cc_final: 0.6908 (mtm) REVERT: T5 12 LYS cc_start: 0.9367 (tmmt) cc_final: 0.9012 (tmmt) REVERT: T5 21 ASN cc_start: 0.6901 (p0) cc_final: 0.6550 (p0) REVERT: T6 3 PHE cc_start: 0.8247 (m-80) cc_final: 0.8007 (m-10) REVERT: T7 12 LYS cc_start: 0.9218 (tttm) cc_final: 0.8760 (tppt) REVERT: T8 2 GLU cc_start: 0.8696 (tp30) cc_final: 0.8379 (tp30) REVERT: T8 9 LYS cc_start: 0.9133 (tptt) cc_final: 0.8656 (tptm) REVERT: T8 12 LYS cc_start: 0.9115 (ttmt) cc_final: 0.8739 (mptt) REVERT: T8 13 ASP cc_start: 0.8582 (m-30) cc_final: 0.7727 (m-30) REVERT: T8 17 LYS cc_start: 0.9003 (mtpt) cc_final: 0.8783 (mtpp) REVERT: UB 9 LYS cc_start: 0.9108 (tppt) cc_final: 0.8858 (ttmm) REVERT: UB 12 LYS cc_start: 0.9053 (tttm) cc_final: 0.8826 (tppt) REVERT: UB 13 ASP cc_start: 0.8915 (t0) cc_final: 0.8451 (t0) REVERT: UC 9 LYS cc_start: 0.8957 (tptm) cc_final: 0.8478 (tptm) REVERT: UC 12 LYS cc_start: 0.8913 (ttmt) cc_final: 0.8487 (mptt) REVERT: UC 18 PHE cc_start: 0.8717 (OUTLIER) cc_final: 0.7967 (t80) REVERT: UE 2 GLU cc_start: 0.8444 (tp30) cc_final: 0.7988 (tp30) REVERT: UG 2 GLU cc_start: 0.8851 (tp30) cc_final: 0.8429 (tp30) REVERT: UG 9 LYS cc_start: 0.9156 (tptm) cc_final: 0.8835 (tptt) REVERT: UG 12 LYS cc_start: 0.9094 (ttmt) cc_final: 0.8773 (mptt) REVERT: UH 6 LYS cc_start: 0.9206 (ptmt) cc_final: 0.8865 (ptpp) REVERT: UJ 9 LYS cc_start: 0.9157 (tppt) cc_final: 0.8945 (ttmm) REVERT: UK 9 LYS cc_start: 0.9087 (tptt) cc_final: 0.8595 (tptt) REVERT: UK 13 ASP cc_start: 0.8673 (m-30) cc_final: 0.7279 (m-30) REVERT: UL 13 ASP cc_start: 0.8822 (t0) cc_final: 0.8562 (t0) REVERT: UL 15 LEU cc_start: 0.8403 (OUTLIER) cc_final: 0.8174 (tt) REVERT: UL 21 ASN cc_start: 0.7607 (p0) cc_final: 0.7182 (p0) REVERT: UO 1 MET cc_start: 0.4306 (OUTLIER) cc_final: 0.3541 (mmt) REVERT: UO 9 LYS cc_start: 0.9174 (tptm) cc_final: 0.8920 (tptt) REVERT: UO 13 ASP cc_start: 0.8667 (m-30) cc_final: 0.7817 (m-30) REVERT: UP 12 LYS cc_start: 0.9400 (tmmt) cc_final: 0.9125 (tmmt) REVERT: UQ 1 MET cc_start: 0.7278 (ttp) cc_final: 0.6995 (ttm) REVERT: UQ 2 GLU cc_start: 0.8249 (tp30) cc_final: 0.8005 (tp30) REVERT: UQ 8 PHE cc_start: 0.9028 (m-80) cc_final: 0.8659 (m-80) REVERT: US 9 LYS cc_start: 0.9147 (tptt) cc_final: 0.8781 (tptm) REVERT: US 13 ASP cc_start: 0.8605 (m-30) cc_final: 0.7789 (m-30) REVERT: UT 6 LYS cc_start: 0.9220 (ptmt) cc_final: 0.8984 (ptpp) REVERT: UU 1 MET cc_start: 0.6420 (ttp) cc_final: 0.6169 (ttm) REVERT: UU 9 LYS cc_start: 0.9181 (tppt) cc_final: 0.8952 (tppt) outliers start: 542 outliers final: 392 residues processed: 5894 average time/residue: 1.3345 time to fit residues: 13548.7016 Evaluate side-chains 5776 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 461 poor density : 5315 time to evaluate : 13.284 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain C residue 2 GLU Chi-restraints excluded: chain E residue 15 LEU Chi-restraints excluded: chain F residue 15 LEU Chi-restraints excluded: chain G residue 4 VAL Chi-restraints excluded: chain M residue 18 PHE Chi-restraints excluded: chain O residue 4 VAL Chi-restraints excluded: chain R residue 11 PHE Chi-restraints excluded: chain S residue 2 GLU Chi-restraints excluded: chain S residue 4 VAL Chi-restraints excluded: chain T residue 14 LEU Chi-restraints excluded: chain W residue 4 VAL Chi-restraints excluded: chain Y residue 19 LEU Chi-restraints excluded: chain 0 residue 19 LEU Chi-restraints excluded: chain 3 residue 11 PHE Chi-restraints excluded: chain 4 residue 4 VAL Chi-restraints excluded: chain 5 residue 14 LEU Chi-restraints excluded: chain 6 residue 15 LEU Chi-restraints excluded: chain 6 residue 19 LEU Chi-restraints excluded: chain 7 residue 15 LEU Chi-restraints excluded: chain 9 residue 14 LEU Chi-restraints excluded: chain b residue 11 PHE Chi-restraints excluded: chain d residue 14 LEU Chi-restraints excluded: chain e residue 11 PHE Chi-restraints excluded: chain e residue 15 LEU Chi-restraints excluded: chain h residue 14 LEU Chi-restraints excluded: chain k residue 2 GLU Chi-restraints excluded: chain m residue 15 LEU Chi-restraints excluded: chain o residue 2 GLU Chi-restraints excluded: chain s residue 1 MET Chi-restraints excluded: chain s residue 2 GLU Chi-restraints excluded: chain s residue 4 VAL Chi-restraints excluded: chain u residue 15 LEU Chi-restraints excluded: chain v residue 3 PHE Chi-restraints excluded: chain v residue 11 PHE Chi-restraints excluded: chain w residue 4 VAL Chi-restraints excluded: chain z residue 15 LEU Chi-restraints excluded: chain AA residue 4 VAL Chi-restraints excluded: chain AB residue 14 LEU Chi-restraints excluded: chain AC residue 13 ASP Chi-restraints excluded: chain AE residue 4 VAL Chi-restraints excluded: chain AI residue 4 VAL Chi-restraints excluded: chain AK residue 17 LYS Chi-restraints excluded: chain AM residue 4 VAL Chi-restraints excluded: chain AQ residue 1 MET Chi-restraints excluded: chain AQ residue 4 VAL Chi-restraints excluded: chain AT residue 3 PHE Chi-restraints excluded: chain AU residue 4 VAL Chi-restraints excluded: chain AU residue 7 LEU Chi-restraints excluded: chain AV residue 14 LEU Chi-restraints excluded: chain AW residue 15 LEU Chi-restraints excluded: chain AW residue 18 PHE Chi-restraints excluded: chain AX residue 21 ASN Chi-restraints excluded: chain AY residue 4 VAL Chi-restraints excluded: chain AZ residue 14 LEU Chi-restraints excluded: chain A0 residue 15 LEU Chi-restraints excluded: chain A0 residue 19 LEU Chi-restraints excluded: chain A4 residue 15 LEU Chi-restraints excluded: chain A5 residue 11 PHE Chi-restraints excluded: chain A6 residue 4 VAL Chi-restraints excluded: chain A9 residue 15 LEU Chi-restraints excluded: chain BA residue 4 VAL Chi-restraints excluded: chain BC residue 15 LEU Chi-restraints excluded: chain BE residue 4 VAL Chi-restraints excluded: chain BF residue 14 LEU Chi-restraints excluded: chain BG residue 14 LEU Chi-restraints excluded: chain BH residue 11 PHE Chi-restraints excluded: chain BI residue 4 VAL Chi-restraints excluded: chain BJ residue 14 LEU Chi-restraints excluded: chain BM residue 4 VAL Chi-restraints excluded: chain BN residue 14 LEU Chi-restraints excluded: chain BO residue 18 PHE Chi-restraints excluded: chain BQ residue 4 VAL Chi-restraints excluded: chain BR residue 14 LEU Chi-restraints excluded: chain BT residue 22 ASN Chi-restraints excluded: chain BX residue 9 LYS Chi-restraints excluded: chain BY residue 4 VAL Chi-restraints excluded: chain B6 residue 4 VAL Chi-restraints excluded: chain B9 residue 3 PHE Chi-restraints excluded: chain CA residue 4 VAL Chi-restraints excluded: chain CC residue 19 LEU Chi-restraints excluded: chain CD residue 22 ASN Chi-restraints excluded: chain CE residue 4 VAL Chi-restraints excluded: chain CG residue 18 PHE Chi-restraints excluded: chain CH residue 3 PHE Chi-restraints excluded: chain CI residue 4 VAL Chi-restraints excluded: chain CL residue 11 PHE Chi-restraints excluded: chain CL residue 22 ASN Chi-restraints excluded: chain CR residue 14 LEU Chi-restraints excluded: chain CR residue 19 LEU Chi-restraints excluded: chain CU residue 1 MET Chi-restraints excluded: chain CY residue 4 VAL Chi-restraints excluded: chain CZ residue 14 LEU Chi-restraints excluded: chain C1 residue 11 PHE Chi-restraints excluded: chain C2 residue 4 VAL Chi-restraints excluded: chain C4 residue 15 LEU Chi-restraints excluded: chain C6 residue 4 VAL Chi-restraints excluded: chain C9 residue 11 PHE Chi-restraints excluded: chain DA residue 4 VAL Chi-restraints excluded: chain DA residue 14 LEU Chi-restraints excluded: chain DD residue 11 PHE Chi-restraints excluded: chain DE residue 4 VAL Chi-restraints excluded: chain DH residue 12 LYS Chi-restraints excluded: chain DI residue 4 VAL Chi-restraints excluded: chain DJ residue 14 LEU Chi-restraints excluded: chain DK residue 15 LEU Chi-restraints excluded: chain DL residue 11 PHE Chi-restraints excluded: chain DM residue 4 VAL Chi-restraints excluded: chain DN residue 14 LEU Chi-restraints excluded: chain DQ residue 4 VAL Chi-restraints excluded: chain DT residue 3 PHE Chi-restraints excluded: chain DT residue 11 PHE Chi-restraints excluded: chain DU residue 4 VAL Chi-restraints excluded: chain DV residue 14 LEU Chi-restraints excluded: chain D0 residue 18 PHE Chi-restraints excluded: chain D1 residue 22 ASN Chi-restraints excluded: chain D2 residue 4 VAL Chi-restraints excluded: chain D2 residue 13 ASP Chi-restraints excluded: chain D3 residue 14 LEU Chi-restraints excluded: chain D5 residue 14 LEU Chi-restraints excluded: chain D5 residue 21 ASN Chi-restraints excluded: chain D6 residue 4 VAL Chi-restraints excluded: chain EA residue 4 VAL Chi-restraints excluded: chain ED residue 11 PHE Chi-restraints excluded: chain ED residue 14 LEU Chi-restraints excluded: chain EE residue 4 VAL Chi-restraints excluded: chain EE residue 13 ASP Chi-restraints excluded: chain EF residue 14 LEU Chi-restraints excluded: chain EL residue 11 PHE Chi-restraints excluded: chain EM residue 4 VAL Chi-restraints excluded: chain EQ residue 1 MET Chi-restraints excluded: chain ER residue 14 LEU Chi-restraints excluded: chain EU residue 14 LEU Chi-restraints excluded: chain EV residue 14 LEU Chi-restraints excluded: chain EV residue 19 LEU Chi-restraints excluded: chain EW residue 11 PHE Chi-restraints excluded: chain EY residue 13 ASP Chi-restraints excluded: chain EZ residue 14 LEU Chi-restraints excluded: chain E1 residue 11 PHE Chi-restraints excluded: chain E2 residue 4 VAL Chi-restraints excluded: chain E6 residue 4 VAL Chi-restraints excluded: chain E9 residue 11 PHE Chi-restraints excluded: chain FA residue 4 VAL Chi-restraints excluded: chain FC residue 1 MET Chi-restraints excluded: chain FC residue 15 LEU Chi-restraints excluded: chain FC residue 19 LEU Chi-restraints excluded: chain FD residue 11 PHE Chi-restraints excluded: chain FE residue 4 VAL Chi-restraints excluded: chain FH residue 11 PHE Chi-restraints excluded: chain FJ residue 19 LEU Chi-restraints excluded: chain FK residue 15 LEU Chi-restraints excluded: chain FM residue 4 VAL Chi-restraints excluded: chain FM residue 13 ASP Chi-restraints excluded: chain FN residue 14 LEU Chi-restraints excluded: chain FO residue 15 LEU Chi-restraints excluded: chain FP residue 11 PHE Chi-restraints excluded: chain FQ residue 4 VAL Chi-restraints excluded: chain FS residue 15 LEU Chi-restraints excluded: chain FU residue 4 VAL Chi-restraints excluded: chain FW residue 15 LEU Chi-restraints excluded: chain FW residue 18 PHE Chi-restraints excluded: chain FX residue 11 PHE Chi-restraints excluded: chain FY residue 4 VAL Chi-restraints excluded: chain FZ residue 14 LEU Chi-restraints excluded: chain F0 residue 18 PHE Chi-restraints excluded: chain F4 residue 15 LEU Chi-restraints excluded: chain F7 residue 14 LEU Chi-restraints excluded: chain GA residue 1 MET Chi-restraints excluded: chain GE residue 4 VAL Chi-restraints excluded: chain GH residue 21 ASN Chi-restraints excluded: chain GN residue 14 LEU Chi-restraints excluded: chain GS residue 13 ASP Chi-restraints excluded: chain GS residue 19 LEU Chi-restraints excluded: chain GT residue 11 PHE Chi-restraints excluded: chain GU residue 4 VAL Chi-restraints excluded: chain GY residue 4 VAL Chi-restraints excluded: chain GZ residue 14 LEU Chi-restraints excluded: chain G0 residue 13 ASP Chi-restraints excluded: chain G1 residue 3 PHE Chi-restraints excluded: chain G1 residue 15 LEU Chi-restraints excluded: chain G2 residue 4 VAL Chi-restraints excluded: chain G3 residue 14 LEU Chi-restraints excluded: chain G4 residue 18 PHE Chi-restraints excluded: chain G6 residue 4 VAL Chi-restraints excluded: chain G7 residue 14 LEU Chi-restraints excluded: chain G9 residue 21 ASN Chi-restraints excluded: chain HA residue 4 VAL Chi-restraints excluded: chain HB residue 14 LEU Chi-restraints excluded: chain HH residue 11 PHE Chi-restraints excluded: chain HI residue 4 VAL Chi-restraints excluded: chain HL residue 11 PHE Chi-restraints excluded: chain HM residue 4 VAL Chi-restraints excluded: chain HO residue 15 LEU Chi-restraints excluded: chain HQ residue 4 VAL Chi-restraints excluded: chain HT residue 11 PHE Chi-restraints excluded: chain HW residue 15 LEU Chi-restraints excluded: chain HX residue 11 PHE Chi-restraints excluded: chain HY residue 4 VAL Chi-restraints excluded: chain H0 residue 15 LEU Chi-restraints excluded: chain H0 residue 18 PHE Chi-restraints excluded: chain H3 residue 14 LEU Chi-restraints excluded: chain H5 residue 21 ASN Chi-restraints excluded: chain H6 residue 4 VAL Chi-restraints excluded: chain H9 residue 21 ASN Chi-restraints excluded: chain IA residue 1 MET Chi-restraints excluded: chain IA residue 4 VAL Chi-restraints excluded: chain IC residue 15 LEU Chi-restraints excluded: chain IC residue 18 PHE Chi-restraints excluded: chain IF residue 14 LEU Chi-restraints excluded: chain II residue 4 VAL Chi-restraints excluded: chain IK residue 15 LEU Chi-restraints excluded: chain IL residue 15 LEU Chi-restraints excluded: chain IM residue 4 VAL Chi-restraints excluded: chain IM residue 13 ASP Chi-restraints excluded: chain IN residue 14 LEU Chi-restraints excluded: chain IP residue 3 PHE Chi-restraints excluded: chain IP residue 11 PHE Chi-restraints excluded: chain IQ residue 4 VAL Chi-restraints excluded: chain IR residue 14 LEU Chi-restraints excluded: chain IU residue 4 VAL Chi-restraints excluded: chain IV residue 14 LEU Chi-restraints excluded: chain IY residue 1 MET Chi-restraints excluded: chain I2 residue 4 VAL Chi-restraints excluded: chain I6 residue 4 VAL Chi-restraints excluded: chain I7 residue 14 LEU Chi-restraints excluded: chain JA residue 4 VAL Chi-restraints excluded: chain JB residue 14 LEU Chi-restraints excluded: chain JF residue 14 LEU Chi-restraints excluded: chain JG residue 13 ASP Chi-restraints excluded: chain JG residue 15 LEU Chi-restraints excluded: chain JI residue 4 VAL Chi-restraints excluded: chain JK residue 18 PHE Chi-restraints excluded: chain JL residue 11 PHE Chi-restraints excluded: chain JO residue 15 LEU Chi-restraints excluded: chain JQ residue 4 VAL Chi-restraints excluded: chain JU residue 4 VAL Chi-restraints excluded: chain JV residue 14 LEU Chi-restraints excluded: chain JX residue 12 LYS Chi-restraints excluded: chain JX residue 22 ASN Chi-restraints excluded: chain JY residue 4 VAL Chi-restraints excluded: chain JZ residue 14 LEU Chi-restraints excluded: chain J1 residue 3 PHE Chi-restraints excluded: chain J1 residue 13 ASP Chi-restraints excluded: chain J2 residue 4 VAL Chi-restraints excluded: chain J3 residue 14 LEU Chi-restraints excluded: chain J5 residue 12 LYS Chi-restraints excluded: chain J8 residue 19 LEU Chi-restraints excluded: chain J9 residue 15 LEU Chi-restraints excluded: chain KA residue 4 VAL Chi-restraints excluded: chain KE residue 4 VAL Chi-restraints excluded: chain KH residue 11 PHE Chi-restraints excluded: chain KH residue 15 LEU Chi-restraints excluded: chain KI residue 4 VAL Chi-restraints excluded: chain KM residue 4 VAL Chi-restraints excluded: chain KM residue 14 LEU Chi-restraints excluded: chain KO residue 15 LEU Chi-restraints excluded: chain KO residue 18 PHE Chi-restraints excluded: chain KQ residue 4 VAL Chi-restraints excluded: chain KR residue 14 LEU Chi-restraints excluded: chain KU residue 4 VAL Chi-restraints excluded: chain K9 residue 11 PHE Chi-restraints excluded: chain LA residue 4 VAL Chi-restraints excluded: chain LB residue 14 LEU Chi-restraints excluded: chain LD residue 14 LEU Chi-restraints excluded: chain LG residue 15 LEU Chi-restraints excluded: chain LH residue 12 LYS Chi-restraints excluded: chain LH residue 21 ASN Chi-restraints excluded: chain LI residue 4 VAL Chi-restraints excluded: chain LL residue 11 PHE Chi-restraints excluded: chain LM residue 4 VAL Chi-restraints excluded: chain LM residue 19 LEU Chi-restraints excluded: chain LP residue 14 LEU Chi-restraints excluded: chain LQ residue 4 VAL Chi-restraints excluded: chain LT residue 3 PHE Chi-restraints excluded: chain LU residue 4 VAL Chi-restraints excluded: chain LV residue 14 LEU Chi-restraints excluded: chain LZ residue 15 LEU Chi-restraints excluded: chain L0 residue 19 LEU Chi-restraints excluded: chain L2 residue 4 VAL Chi-restraints excluded: chain L6 residue 4 VAL Chi-restraints excluded: chain MA residue 4 VAL Chi-restraints excluded: chain ME residue 4 VAL Chi-restraints excluded: chain MG residue 1 MET Chi-restraints excluded: chain MI residue 4 VAL Chi-restraints excluded: chain MK residue 13 ASP Chi-restraints excluded: chain MK residue 18 PHE Chi-restraints excluded: chain ML residue 22 ASN Chi-restraints excluded: chain MQ residue 4 VAL Chi-restraints excluded: chain MS residue 15 LEU Chi-restraints excluded: chain MV residue 14 LEU Chi-restraints excluded: chain MX residue 11 PHE Chi-restraints excluded: chain MX residue 22 ASN Chi-restraints excluded: chain MY residue 4 VAL Chi-restraints excluded: chain M0 residue 15 LEU Chi-restraints excluded: chain M1 residue 13 ASP Chi-restraints excluded: chain M2 residue 4 VAL Chi-restraints excluded: chain M5 residue 3 PHE Chi-restraints excluded: chain M6 residue 14 LEU Chi-restraints excluded: chain M9 residue 3 PHE Chi-restraints excluded: chain NA residue 4 VAL Chi-restraints excluded: chain NF residue 14 LEU Chi-restraints excluded: chain NI residue 4 VAL Chi-restraints excluded: chain NK residue 15 LEU Chi-restraints excluded: chain NL residue 11 PHE Chi-restraints excluded: chain NM residue 4 VAL Chi-restraints excluded: chain NQ residue 4 VAL Chi-restraints excluded: chain NR residue 14 LEU Chi-restraints excluded: chain NS residue 15 LEU Chi-restraints excluded: chain NT residue 11 PHE Chi-restraints excluded: chain NU residue 4 VAL Chi-restraints excluded: chain N0 residue 15 LEU Chi-restraints excluded: chain N2 residue 4 VAL Chi-restraints excluded: chain N3 residue 14 LEU Chi-restraints excluded: chain N4 residue 15 LEU Chi-restraints excluded: chain N5 residue 13 ASP Chi-restraints excluded: chain N6 residue 4 VAL Chi-restraints excluded: chain N8 residue 15 LEU Chi-restraints excluded: chain N9 residue 3 PHE Chi-restraints excluded: chain N9 residue 11 PHE Chi-restraints excluded: chain N9 residue 21 ASN Chi-restraints excluded: chain OA residue 4 VAL Chi-restraints excluded: chain OC residue 13 ASP Chi-restraints excluded: chain OD residue 13 ASP Chi-restraints excluded: chain OF residue 14 LEU Chi-restraints excluded: chain OG residue 15 LEU Chi-restraints excluded: chain OH residue 22 ASN Chi-restraints excluded: chain OJ residue 12 LYS Chi-restraints excluded: chain OJ residue 14 LEU Chi-restraints excluded: chain OL residue 11 PHE Chi-restraints excluded: chain OL residue 15 LEU Chi-restraints excluded: chain OQ residue 4 VAL Chi-restraints excluded: chain OT residue 15 LEU Chi-restraints excluded: chain OU residue 4 VAL Chi-restraints excluded: chain OX residue 1 MET Chi-restraints excluded: chain OX residue 11 PHE Chi-restraints excluded: chain OY residue 4 VAL Chi-restraints excluded: chain O0 residue 13 ASP Chi-restraints excluded: chain O2 residue 4 VAL Chi-restraints excluded: chain O3 residue 14 LEU Chi-restraints excluded: chain O4 residue 1 MET Chi-restraints excluded: chain O7 residue 14 LEU Chi-restraints excluded: chain O8 residue 15 LEU Chi-restraints excluded: chain O9 residue 3 PHE Chi-restraints excluded: chain PA residue 4 VAL Chi-restraints excluded: chain PB residue 14 LEU Chi-restraints excluded: chain PD residue 11 PHE Chi-restraints excluded: chain PD residue 22 ASN Chi-restraints excluded: chain PE residue 4 VAL Chi-restraints excluded: chain PF residue 14 LEU Chi-restraints excluded: chain PI residue 4 VAL Chi-restraints excluded: chain PJ residue 14 LEU Chi-restraints excluded: chain PL residue 11 PHE Chi-restraints excluded: chain PM residue 4 VAL Chi-restraints excluded: chain PO residue 15 LEU Chi-restraints excluded: chain PQ residue 4 VAL Chi-restraints excluded: chain PS residue 4 VAL Chi-restraints excluded: chain PT residue 11 PHE Chi-restraints excluded: chain PW residue 15 LEU Chi-restraints excluded: chain PX residue 11 PHE Chi-restraints excluded: chain PY residue 4 VAL Chi-restraints excluded: chain PZ residue 14 LEU Chi-restraints excluded: chain P0 residue 18 PHE Chi-restraints excluded: chain P1 residue 15 LEU Chi-restraints excluded: chain P2 residue 4 VAL Chi-restraints excluded: chain P6 residue 4 VAL Chi-restraints excluded: chain P6 residue 15 LEU Chi-restraints excluded: chain QA residue 4 VAL Chi-restraints excluded: chain QB residue 14 LEU Chi-restraints excluded: chain QC residue 15 LEU Chi-restraints excluded: chain QE residue 4 VAL Chi-restraints excluded: chain QI residue 13 ASP Chi-restraints excluded: chain QJ residue 14 LEU Chi-restraints excluded: chain QN residue 14 LEU Chi-restraints excluded: chain QP residue 15 LEU Chi-restraints excluded: chain QR residue 14 LEU Chi-restraints excluded: chain QR residue 15 LEU Chi-restraints excluded: chain QU residue 4 VAL Chi-restraints excluded: chain QV residue 14 LEU Chi-restraints excluded: chain QW residue 1 MET Chi-restraints excluded: chain QY residue 4 VAL Chi-restraints excluded: chain QY residue 14 LEU Chi-restraints excluded: chain Q1 residue 11 PHE Chi-restraints excluded: chain Q2 residue 4 VAL Chi-restraints excluded: chain Q3 residue 15 LEU Chi-restraints excluded: chain Q4 residue 15 LEU Chi-restraints excluded: chain RA residue 1 MET Chi-restraints excluded: chain RA residue 4 VAL Chi-restraints excluded: chain RD residue 15 LEU Chi-restraints excluded: chain RK residue 15 LEU Chi-restraints excluded: chain RK residue 18 PHE Chi-restraints excluded: chain RM residue 19 LEU Chi-restraints excluded: chain RQ residue 4 VAL Chi-restraints excluded: chain RQ residue 13 ASP Chi-restraints excluded: chain RV residue 4 VAL Chi-restraints excluded: chain RW residue 1 MET Chi-restraints excluded: chain RW residue 15 LEU Chi-restraints excluded: chain RX residue 11 PHE Chi-restraints excluded: chain RZ residue 14 LEU Chi-restraints excluded: chain R2 residue 4 VAL Chi-restraints excluded: chain R4 residue 13 ASP Chi-restraints excluded: chain R5 residue 11 PHE Chi-restraints excluded: chain R8 residue 13 ASP Chi-restraints excluded: chain SA residue 13 ASP Chi-restraints excluded: chain SB residue 14 LEU Chi-restraints excluded: chain SE residue 1 MET Chi-restraints excluded: chain SF residue 14 LEU Chi-restraints excluded: chain SG residue 18 PHE Chi-restraints excluded: chain SI residue 4 VAL Chi-restraints excluded: chain SI residue 13 ASP Chi-restraints excluded: chain SK residue 15 LEU Chi-restraints excluded: chain SM residue 4 VAL Chi-restraints excluded: chain SO residue 15 LEU Chi-restraints excluded: chain SQ residue 4 VAL Chi-restraints excluded: chain SS residue 19 LEU Chi-restraints excluded: chain ST residue 11 PHE Chi-restraints excluded: chain SU residue 14 LEU Chi-restraints excluded: chain SV residue 14 LEU Chi-restraints excluded: chain SY residue 4 VAL Chi-restraints excluded: chain S0 residue 18 PHE Chi-restraints excluded: chain S1 residue 3 PHE Chi-restraints excluded: chain S1 residue 22 ASN Chi-restraints excluded: chain S2 residue 4 VAL Chi-restraints excluded: chain S4 residue 18 PHE Chi-restraints excluded: chain S6 residue 18 PHE Chi-restraints excluded: chain S7 residue 14 LEU Chi-restraints excluded: chain S8 residue 15 LEU Chi-restraints excluded: chain S9 residue 22 ASN Chi-restraints excluded: chain TA residue 4 VAL Chi-restraints excluded: chain TA residue 13 ASP Chi-restraints excluded: chain TB residue 14 LEU Chi-restraints excluded: chain TE residue 4 VAL Chi-restraints excluded: chain TE residue 13 ASP Chi-restraints excluded: chain TH residue 11 PHE Chi-restraints excluded: chain TJ residue 11 PHE Chi-restraints excluded: chain TM residue 1 MET Chi-restraints excluded: chain TM residue 4 VAL Chi-restraints excluded: chain TN residue 14 LEU Chi-restraints excluded: chain TQ residue 4 VAL Chi-restraints excluded: chain TR residue 14 LEU Chi-restraints excluded: chain TT residue 3 PHE Chi-restraints excluded: chain TU residue 4 VAL Chi-restraints excluded: chain TV residue 14 LEU Chi-restraints excluded: chain TW residue 1 MET Chi-restraints excluded: chain TX residue 11 PHE Chi-restraints excluded: chain TX residue 22 ASN Chi-restraints excluded: chain TY residue 1 MET Chi-restraints excluded: chain TY residue 4 VAL Chi-restraints excluded: chain TZ residue 14 LEU Chi-restraints excluded: chain T2 residue 4 VAL Chi-restraints excluded: chain T3 residue 11 PHE Chi-restraints excluded: chain T5 residue 11 PHE Chi-restraints excluded: chain T9 residue 22 ASN Chi-restraints excluded: chain UA residue 4 VAL Chi-restraints excluded: chain UB residue 11 PHE Chi-restraints excluded: chain UC residue 18 PHE Chi-restraints excluded: chain UE residue 4 VAL Chi-restraints excluded: chain UH residue 11 PHE Chi-restraints excluded: chain UL residue 15 LEU Chi-restraints excluded: chain UO residue 1 MET Chi-restraints excluded: chain UP residue 11 PHE Chi-restraints excluded: chain UQ residue 4 VAL Chi-restraints excluded: chain UT residue 11 PHE Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1608 random chunks: chunk 948 optimal weight: 5.9990 chunk 1527 optimal weight: 3.9990 chunk 932 optimal weight: 6.9990 chunk 724 optimal weight: 8.9990 chunk 1061 optimal weight: 7.9990 chunk 1601 optimal weight: 7.9990 chunk 1474 optimal weight: 10.0000 chunk 1275 optimal weight: 10.0000 chunk 132 optimal weight: 5.9990 chunk 985 optimal weight: 10.0000 chunk 782 optimal weight: 10.0000 overall best weight: 6.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** E 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C1 22 ASN ** C8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ET 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FP 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HP 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** JD 22 ASN ** JG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KP 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q9 22 ASN ** RD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S5 22 ASN ** S8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8547 moved from start: 0.4314 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.060 146328 Z= 0.310 Angle : 0.844 17.938 191955 Z= 0.379 Chirality : 0.038 0.228 19497 Planarity : 0.003 0.028 22914 Dihedral : 3.916 24.173 16281 Min Nonbonded Distance : 2.163 Molprobity Statistics. All-atom Clashscore : 12.08 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.31 % Favored : 96.69 % Rotamer: Outliers : 3.62 % Allowed : 34.29 % Favored : 62.09 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.53 (0.07), residues: 15477 helix: 0.66 (0.04), residues: 14676 sheet: None (None), residues: 0 loop : -3.78 (0.06), residues: 801 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.038 0.002 PHEJ1 18 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30954 Ramachandran restraints generated. 15477 Oldfield, 0 Emsley, 15477 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5757 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 531 poor density : 5226 time to evaluate : 13.534 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 6 LYS cc_start: 0.9055 (ttmm) cc_final: 0.8092 (tmtt) REVERT: A 9 LYS cc_start: 0.9315 (tptm) cc_final: 0.8595 (tptp) REVERT: A 13 ASP cc_start: 0.8763 (m-30) cc_final: 0.7949 (m-30) REVERT: A 17 LYS cc_start: 0.9286 (mtpp) cc_final: 0.8777 (pptt) REVERT: B 6 LYS cc_start: 0.9023 (ptmt) cc_final: 0.8634 (pttp) REVERT: B 17 LYS cc_start: 0.8669 (ttmm) cc_final: 0.7691 (tmtt) REVERT: C 1 MET cc_start: 0.7536 (tmm) cc_final: 0.7330 (tpp) REVERT: C 2 GLU cc_start: 0.7549 (OUTLIER) cc_final: 0.7253 (pp20) REVERT: D 1 MET cc_start: 0.6971 (ptt) cc_final: 0.4257 (mmt) REVERT: E 6 LYS cc_start: 0.8968 (ttmm) cc_final: 0.8032 (tmtt) REVERT: E 9 LYS cc_start: 0.9055 (tptt) cc_final: 0.8461 (tptp) REVERT: E 13 ASP cc_start: 0.8811 (m-30) cc_final: 0.7504 (m-30) REVERT: E 17 LYS cc_start: 0.9327 (mtpp) cc_final: 0.8678 (pttt) REVERT: F 6 LYS cc_start: 0.8801 (ptmt) cc_final: 0.8593 (pttp) REVERT: F 15 LEU cc_start: 0.8780 (OUTLIER) cc_final: 0.8524 (tp) REVERT: F 21 ASN cc_start: 0.7479 (p0) cc_final: 0.7234 (p0) REVERT: G 1 MET cc_start: 0.8047 (tmm) cc_final: 0.7487 (tmm) REVERT: I 6 LYS cc_start: 0.9019 (ttmm) cc_final: 0.8208 (tmtt) REVERT: I 9 LYS cc_start: 0.9179 (tptt) cc_final: 0.8819 (tptp) REVERT: I 13 ASP cc_start: 0.8853 (m-30) cc_final: 0.8304 (m-30) REVERT: I 17 LYS cc_start: 0.9215 (mtpp) cc_final: 0.8709 (pttt) REVERT: J 1 MET cc_start: 0.7671 (mtm) cc_final: 0.6960 (mmm) REVERT: J 6 LYS cc_start: 0.8502 (ptmt) cc_final: 0.8231 (pttp) REVERT: J 13 ASP cc_start: 0.8802 (t0) cc_final: 0.8581 (t0) REVERT: J 17 LYS cc_start: 0.8885 (ttmm) cc_final: 0.7830 (tmtt) REVERT: K 17 LYS cc_start: 0.9004 (mttt) cc_final: 0.8000 (tmtt) REVERT: L 1 MET cc_start: 0.7419 (ptt) cc_final: 0.4610 (mmm) REVERT: L 9 LYS cc_start: 0.9199 (tppt) cc_final: 0.8951 (ttmm) REVERT: M 1 MET cc_start: 0.7727 (pmm) cc_final: 0.7415 (pmm) REVERT: M 6 LYS cc_start: 0.9062 (ttmm) cc_final: 0.8174 (tmtt) REVERT: M 17 LYS cc_start: 0.9223 (mtpp) cc_final: 0.8767 (pttt) REVERT: M 18 PHE cc_start: 0.8601 (OUTLIER) cc_final: 0.7764 (t80) REVERT: N 1 MET cc_start: 0.7432 (mtm) cc_final: 0.7101 (mtm) REVERT: N 6 LYS cc_start: 0.9082 (ptmt) cc_final: 0.8571 (pttp) REVERT: N 12 LYS cc_start: 0.9282 (tmmt) cc_final: 0.8953 (tmmt) REVERT: O 17 LYS cc_start: 0.9163 (mttt) cc_final: 0.8231 (tmtt) REVERT: P 1 MET cc_start: 0.7447 (ptt) cc_final: 0.4993 (mmt) REVERT: Q 6 LYS cc_start: 0.9056 (ttmm) cc_final: 0.8001 (tmtt) REVERT: Q 9 LYS cc_start: 0.9213 (tptt) cc_final: 0.8941 (tptm) REVERT: Q 13 ASP cc_start: 0.8689 (m-30) cc_final: 0.7849 (m-30) REVERT: Q 17 LYS cc_start: 0.9195 (mtpp) cc_final: 0.8685 (pttt) REVERT: R 6 LYS cc_start: 0.8950 (ptmt) cc_final: 0.8595 (pttp) REVERT: T 1 MET cc_start: 0.7541 (ptt) cc_final: 0.5165 (mmt) REVERT: T 12 LYS cc_start: 0.9257 (tttm) cc_final: 0.8940 (tppt) REVERT: U 6 LYS cc_start: 0.8992 (ttmm) cc_final: 0.8100 (tmtt) REVERT: U 17 LYS cc_start: 0.9241 (mtpp) cc_final: 0.8736 (pttt) REVERT: V 6 LYS cc_start: 0.9081 (ptmt) cc_final: 0.8739 (pttp) REVERT: W 1 MET cc_start: 0.7414 (tmm) cc_final: 0.6984 (tmm) REVERT: W 17 LYS cc_start: 0.8909 (mttt) cc_final: 0.8067 (tmtt) REVERT: X 1 MET cc_start: 0.7602 (ptp) cc_final: 0.5691 (mmt) REVERT: Y 6 LYS cc_start: 0.9026 (ttmm) cc_final: 0.8340 (tmtt) REVERT: Y 9 LYS cc_start: 0.9176 (tptt) cc_final: 0.8584 (tptp) REVERT: Y 13 ASP cc_start: 0.8889 (m-30) cc_final: 0.7624 (m-30) REVERT: Y 17 LYS cc_start: 0.9289 (mtpp) cc_final: 0.8603 (pttt) REVERT: Z 1 MET cc_start: 0.7687 (mtm) cc_final: 0.7337 (mtm) REVERT: Z 6 LYS cc_start: 0.8723 (ptmt) cc_final: 0.8089 (pptt) REVERT: 0 1 MET cc_start: 0.7922 (tpt) cc_final: 0.7481 (tpt) REVERT: 0 17 LYS cc_start: 0.8896 (mttt) cc_final: 0.8056 (tmtt) REVERT: 1 12 LYS cc_start: 0.9270 (tttm) cc_final: 0.8850 (tptp) REVERT: 2 1 MET cc_start: 0.7146 (pmm) cc_final: 0.6945 (pmm) REVERT: 2 6 LYS cc_start: 0.9023 (ttmm) cc_final: 0.8069 (tmtt) REVERT: 2 9 LYS cc_start: 0.9040 (tptp) cc_final: 0.8839 (tptp) REVERT: 2 13 ASP cc_start: 0.8627 (m-30) cc_final: 0.8193 (m-30) REVERT: 2 17 LYS cc_start: 0.9245 (mtpp) cc_final: 0.8682 (pttt) REVERT: 3 6 LYS cc_start: 0.8799 (ptmt) cc_final: 0.8326 (tmtt) REVERT: 4 17 LYS cc_start: 0.9193 (mttt) cc_final: 0.8185 (tmtt) REVERT: 6 1 MET cc_start: 0.7683 (pmm) cc_final: 0.7152 (pmm) REVERT: 6 6 LYS cc_start: 0.8899 (ttmm) cc_final: 0.8196 (tmtt) REVERT: 6 9 LYS cc_start: 0.9293 (tptm) cc_final: 0.8819 (tptt) REVERT: 6 17 LYS cc_start: 0.9269 (mtpp) cc_final: 0.8946 (pttt) REVERT: 7 6 LYS cc_start: 0.8867 (ptmt) cc_final: 0.8478 (pttp) REVERT: 8 17 LYS cc_start: 0.9103 (mttt) cc_final: 0.8206 (tmtt) REVERT: a 6 LYS cc_start: 0.9010 (ttmm) cc_final: 0.8108 (tmtt) REVERT: a 9 LYS cc_start: 0.9275 (tptm) cc_final: 0.8706 (tptp) REVERT: a 13 ASP cc_start: 0.8735 (m-30) cc_final: 0.8101 (m-30) REVERT: a 17 LYS cc_start: 0.9209 (mtpp) cc_final: 0.8740 (pptt) REVERT: b 6 LYS cc_start: 0.8424 (ptmt) cc_final: 0.8016 (ptmm) REVERT: b 12 LYS cc_start: 0.9403 (tmmt) cc_final: 0.9146 (tmmt) REVERT: c 1 MET cc_start: 0.7709 (tmm) cc_final: 0.5632 (mpp) REVERT: c 17 LYS cc_start: 0.9215 (mttt) cc_final: 0.8028 (tmtt) REVERT: d 1 MET cc_start: 0.7689 (ptp) cc_final: 0.5516 (mmt) REVERT: e 6 LYS cc_start: 0.8919 (ttmm) cc_final: 0.8096 (tmtt) REVERT: e 9 LYS cc_start: 0.9206 (tptm) cc_final: 0.8952 (tptt) REVERT: e 17 LYS cc_start: 0.9331 (mtpp) cc_final: 0.8804 (pttt) REVERT: f 6 LYS cc_start: 0.8596 (ptmt) cc_final: 0.8235 (pttp) REVERT: h 1 MET cc_start: 0.6688 (ptt) cc_final: 0.5206 (mmt) REVERT: h 2 GLU cc_start: 0.8419 (pm20) cc_final: 0.8138 (pm20) REVERT: h 12 LYS cc_start: 0.9240 (ttpt) cc_final: 0.8683 (tppt) REVERT: i 6 LYS cc_start: 0.9007 (ttmm) cc_final: 0.8197 (tmtt) REVERT: i 17 LYS cc_start: 0.9342 (mtpp) cc_final: 0.8707 (pttt) REVERT: j 6 LYS cc_start: 0.8728 (ptmt) cc_final: 0.8228 (pptt) REVERT: j 12 LYS cc_start: 0.9240 (tmmt) cc_final: 0.8971 (tmmt) REVERT: j 17 LYS cc_start: 0.8940 (ttmm) cc_final: 0.7960 (tmtt) REVERT: k 2 GLU cc_start: 0.7277 (OUTLIER) cc_final: 0.6274 (tm-30) REVERT: k 17 LYS cc_start: 0.9067 (mttt) cc_final: 0.8263 (tmtt) REVERT: l 12 LYS cc_start: 0.9278 (ttpt) cc_final: 0.8805 (tppt) REVERT: m 6 LYS cc_start: 0.8924 (ttmm) cc_final: 0.8072 (tmtt) REVERT: m 9 LYS cc_start: 0.9315 (tptt) cc_final: 0.8802 (tptt) REVERT: m 13 ASP cc_start: 0.8703 (m-30) cc_final: 0.7260 (m-30) REVERT: m 17 LYS cc_start: 0.9240 (mtpp) cc_final: 0.8800 (pttt) REVERT: n 1 MET cc_start: 0.7365 (mtm) cc_final: 0.7109 (mtp) REVERT: n 6 LYS cc_start: 0.8853 (ptmt) cc_final: 0.8274 (tmtt) REVERT: n 13 ASP cc_start: 0.8883 (t0) cc_final: 0.8646 (t0) REVERT: n 17 LYS cc_start: 0.9000 (ttmm) cc_final: 0.8057 (tmtt) REVERT: p 1 MET cc_start: 0.7945 (ptm) cc_final: 0.5270 (mmt) REVERT: q 9 LYS cc_start: 0.9097 (tptt) cc_final: 0.8748 (tptp) REVERT: q 13 ASP cc_start: 0.8745 (m-30) cc_final: 0.7779 (m-30) REVERT: r 6 LYS cc_start: 0.9320 (ptpt) cc_final: 0.9078 (ptpp) REVERT: r 12 LYS cc_start: 0.9397 (tmmt) cc_final: 0.9059 (tmmt) REVERT: s 1 MET cc_start: 0.6977 (ttt) cc_final: 0.6387 (mpp) REVERT: t 1 MET cc_start: 0.7394 (ptt) cc_final: 0.7085 (ptm) REVERT: u 2 GLU cc_start: 0.9040 (tp30) cc_final: 0.8463 (tp30) REVERT: u 6 LYS cc_start: 0.9387 (mmtt) cc_final: 0.8795 (mmtp) REVERT: u 9 LYS cc_start: 0.9263 (tptm) cc_final: 0.8830 (tptm) REVERT: v 1 MET cc_start: 0.7404 (mtm) cc_final: 0.7020 (mtm) REVERT: v 6 LYS cc_start: 0.9309 (ptmt) cc_final: 0.8953 (ptpp) REVERT: v 13 ASP cc_start: 0.8842 (t0) cc_final: 0.8509 (t70) REVERT: w 1 MET cc_start: 0.7201 (tmm) cc_final: 0.6428 (mtm) REVERT: y 9 LYS cc_start: 0.9176 (tptm) cc_final: 0.8922 (tptm) REVERT: z 6 LYS cc_start: 0.9366 (ptmt) cc_final: 0.9050 (ptpp) REVERT: AA 1 MET cc_start: 0.7215 (tmm) cc_final: 0.6715 (tmm) REVERT: AC 9 LYS cc_start: 0.9237 (tptm) cc_final: 0.8640 (tptp) REVERT: AC 13 ASP cc_start: 0.8818 (OUTLIER) cc_final: 0.8190 (m-30) REVERT: AE 18 PHE cc_start: 0.8801 (t80) cc_final: 0.8506 (t80) REVERT: AG 1 MET cc_start: 0.7137 (pmm) cc_final: 0.6448 (pmm) REVERT: AG 9 LYS cc_start: 0.9207 (tptm) cc_final: 0.8873 (tptt) REVERT: AG 13 ASP cc_start: 0.8977 (m-30) cc_final: 0.8607 (m-30) REVERT: AH 6 LYS cc_start: 0.9353 (ptmt) cc_final: 0.8952 (ptpp) REVERT: AI 1 MET cc_start: 0.7441 (tmm) cc_final: 0.7090 (tmm) REVERT: AJ 2 GLU cc_start: 0.8526 (pm20) cc_final: 0.8225 (pm20) REVERT: AJ 13 ASP cc_start: 0.8989 (t0) cc_final: 0.8461 (t0) REVERT: AK 1 MET cc_start: 0.7497 (pmm) cc_final: 0.6096 (pmm) REVERT: AK 2 GLU cc_start: 0.8977 (tp30) cc_final: 0.8568 (tp30) REVERT: AK 6 LYS cc_start: 0.9385 (mmtt) cc_final: 0.9184 (mmtt) REVERT: AK 9 LYS cc_start: 0.9263 (tptm) cc_final: 0.8508 (tptm) REVERT: AK 13 ASP cc_start: 0.8752 (m-30) cc_final: 0.7985 (m-30) REVERT: AK 17 LYS cc_start: 0.9086 (OUTLIER) cc_final: 0.8581 (mtmt) REVERT: AN 1 MET cc_start: 0.8024 (ptm) cc_final: 0.7662 (ptt) REVERT: AO 1 MET cc_start: 0.7365 (pmm) cc_final: 0.7153 (pmm) REVERT: AO 13 ASP cc_start: 0.9004 (m-30) cc_final: 0.8784 (m-30) REVERT: AP 6 LYS cc_start: 0.9350 (ptpt) cc_final: 0.9070 (ptpp) REVERT: AQ 1 MET cc_start: 0.8009 (OUTLIER) cc_final: 0.5755 (mpp) REVERT: AR 13 ASP cc_start: 0.9146 (t0) cc_final: 0.8828 (t0) REVERT: AS 2 GLU cc_start: 0.9125 (tp30) cc_final: 0.8864 (tp30) REVERT: AS 6 LYS cc_start: 0.9264 (mmmt) cc_final: 0.9001 (mmmt) REVERT: AS 9 LYS cc_start: 0.9142 (tptt) cc_final: 0.8588 (tptp) REVERT: AS 13 ASP cc_start: 0.8610 (m-30) cc_final: 0.7450 (m-30) REVERT: AT 6 LYS cc_start: 0.9315 (ptmt) cc_final: 0.9051 (ptpp) REVERT: AW 2 GLU cc_start: 0.8858 (tp30) cc_final: 0.8182 (tp30) REVERT: AW 6 LYS cc_start: 0.9335 (mttm) cc_final: 0.8934 (mttm) REVERT: AX 6 LYS cc_start: 0.9267 (ptmt) cc_final: 0.9029 (ptpp) REVERT: AX 21 ASN cc_start: 0.7284 (OUTLIER) cc_final: 0.6816 (p0) REVERT: AZ 15 LEU cc_start: 0.9649 (tp) cc_final: 0.9355 (tp) REVERT: A0 15 LEU cc_start: 0.8332 (OUTLIER) cc_final: 0.7973 (tt) REVERT: A1 21 ASN cc_start: 0.7715 (p0) cc_final: 0.7440 (p0) REVERT: A2 1 MET cc_start: 0.7206 (tmm) cc_final: 0.5832 (mpp) REVERT: A3 2 GLU cc_start: 0.8487 (pm20) cc_final: 0.8264 (pm20) REVERT: A4 2 GLU cc_start: 0.8845 (tp30) cc_final: 0.8488 (tp30) REVERT: A4 9 LYS cc_start: 0.9118 (tptt) cc_final: 0.8564 (tptp) REVERT: A4 13 ASP cc_start: 0.8658 (m-30) cc_final: 0.7820 (m-30) REVERT: A5 12 LYS cc_start: 0.9315 (tmmt) cc_final: 0.9098 (tmmt) REVERT: A8 6 LYS cc_start: 0.9216 (mmtm) cc_final: 0.8829 (mmtm) REVERT: A8 9 LYS cc_start: 0.9165 (tptt) cc_final: 0.8562 (tptm) REVERT: A8 13 ASP cc_start: 0.8840 (m-30) cc_final: 0.7741 (m-30) REVERT: A9 6 LYS cc_start: 0.9404 (ptmt) cc_final: 0.9084 (ptpp) REVERT: A9 15 LEU cc_start: 0.8819 (OUTLIER) cc_final: 0.8602 (tp) REVERT: BB 6 LYS cc_start: 0.9201 (ttmm) cc_final: 0.8836 (mtmm) REVERT: BE 1 MET cc_start: 0.7514 (tmm) cc_final: 0.6429 (mpp) REVERT: BF 12 LYS cc_start: 0.9214 (ttpt) cc_final: 0.8654 (tppt) REVERT: BH 13 ASP cc_start: 0.8735 (t70) cc_final: 0.8454 (t0) REVERT: BI 1 MET cc_start: 0.7725 (tmm) cc_final: 0.5388 (mpp) REVERT: BI 12 LYS cc_start: 0.9043 (tttp) cc_final: 0.8659 (tptm) REVERT: BJ 12 LYS cc_start: 0.9320 (ttpt) cc_final: 0.8770 (tppt) REVERT: BK 9 LYS cc_start: 0.9188 (tptm) cc_final: 0.8881 (tptt) REVERT: BL 21 ASN cc_start: 0.7718 (p0) cc_final: 0.7447 (p0) REVERT: BM 1 MET cc_start: 0.6941 (tpp) cc_final: 0.6501 (tpp) REVERT: BO 9 LYS cc_start: 0.9275 (tptm) cc_final: 0.8935 (tptt) REVERT: BO 13 ASP cc_start: 0.8778 (m-30) cc_final: 0.8353 (m-30) REVERT: BP 13 ASP cc_start: 0.8529 (t70) cc_final: 0.8304 (t0) REVERT: BR 12 LYS cc_start: 0.9240 (ttpt) cc_final: 0.8807 (tppt) REVERT: BT 6 LYS cc_start: 0.9340 (ptmt) cc_final: 0.9057 (ptpp) REVERT: BW 9 LYS cc_start: 0.9157 (tptt) cc_final: 0.8612 (tptt) REVERT: BW 13 ASP cc_start: 0.8803 (m-30) cc_final: 0.7437 (m-30) REVERT: BX 6 LYS cc_start: 0.9329 (ptpt) cc_final: 0.9125 (ptpp) REVERT: BX 21 ASN cc_start: 0.7180 (p0) cc_final: 0.6971 (p0) REVERT: B0 2 GLU cc_start: 0.8923 (tp30) cc_final: 0.8396 (tp30) REVERT: B0 6 LYS cc_start: 0.9224 (mttm) cc_final: 0.8914 (mtpp) REVERT: B0 9 LYS cc_start: 0.9245 (tptt) cc_final: 0.8644 (tptp) REVERT: B0 13 ASP cc_start: 0.8693 (m-30) cc_final: 0.7884 (m-30) REVERT: B0 17 LYS cc_start: 0.9049 (mtpp) cc_final: 0.8615 (mtpt) REVERT: B1 1 MET cc_start: 0.6816 (mtm) cc_final: 0.6509 (mmm) REVERT: B1 21 ASN cc_start: 0.7406 (p0) cc_final: 0.7050 (p0) REVERT: B2 1 MET cc_start: 0.7290 (tmm) cc_final: 0.6721 (tmm) REVERT: B3 11 PHE cc_start: 0.9148 (m-10) cc_final: 0.8784 (m-80) REVERT: B4 13 ASP cc_start: 0.8680 (m-30) cc_final: 0.8355 (m-30) REVERT: B9 13 ASP cc_start: 0.8607 (t0) cc_final: 0.8280 (t0) REVERT: B9 17 LYS cc_start: 0.9016 (ttmm) cc_final: 0.8709 (mmmm) REVERT: CA 1 MET cc_start: 0.7087 (tmm) cc_final: 0.6702 (tmm) REVERT: CB 6 LYS cc_start: 0.9244 (ttmm) cc_final: 0.8979 (mtmm) REVERT: CC 2 GLU cc_start: 0.8915 (tp30) cc_final: 0.8563 (tp30) REVERT: CC 9 LYS cc_start: 0.9246 (tptm) cc_final: 0.8998 (tptm) REVERT: CC 13 ASP cc_start: 0.8637 (m-30) cc_final: 0.8317 (m-30) REVERT: CC 19 LEU cc_start: 0.8414 (tt) cc_final: 0.8167 (tt) REVERT: CD 6 LYS cc_start: 0.9201 (ptmt) cc_final: 0.8937 (ptpp) REVERT: CE 1 MET cc_start: 0.7413 (tpp) cc_final: 0.7082 (tpp) REVERT: CG 6 LYS cc_start: 0.9374 (mmtt) cc_final: 0.9147 (mmtm) REVERT: CG 9 LYS cc_start: 0.9193 (tptt) cc_final: 0.8792 (tptm) REVERT: CG 13 ASP cc_start: 0.8732 (m-30) cc_final: 0.8084 (m-30) REVERT: CH 12 LYS cc_start: 0.9350 (tmmt) cc_final: 0.9076 (tmmt) REVERT: CK 9 LYS cc_start: 0.9264 (tptm) cc_final: 0.8956 (tptm) REVERT: CK 13 ASP cc_start: 0.8750 (m-30) cc_final: 0.8495 (m-30) REVERT: CL 1 MET cc_start: 0.6932 (mtm) cc_final: 0.6458 (mtm) REVERT: CL 12 LYS cc_start: 0.9355 (tmmt) cc_final: 0.9083 (tmmt) REVERT: CO 9 LYS cc_start: 0.9198 (tptt) cc_final: 0.8810 (tptp) REVERT: CO 13 ASP cc_start: 0.8768 (m-30) cc_final: 0.7975 (m-30) REVERT: CP 6 LYS cc_start: 0.9234 (ptpt) cc_final: 0.8928 (ptpp) REVERT: CP 13 ASP cc_start: 0.8863 (t0) cc_final: 0.8569 (t0) REVERT: CR 12 LYS cc_start: 0.9319 (tttt) cc_final: 0.8868 (tppt) REVERT: CS 2 GLU cc_start: 0.8862 (tp30) cc_final: 0.8156 (tp30) REVERT: CS 6 LYS cc_start: 0.9394 (mmtm) cc_final: 0.8907 (mmtt) REVERT: CT 21 ASN cc_start: 0.7592 (p0) cc_final: 0.7286 (p0) REVERT: CW 9 LYS cc_start: 0.9084 (tptm) cc_final: 0.8586 (tptp) REVERT: CW 13 ASP cc_start: 0.8755 (m-30) cc_final: 0.7770 (m-30) REVERT: CX 12 LYS cc_start: 0.9201 (tmmt) cc_final: 0.8995 (tmmt) REVERT: CX 21 ASN cc_start: 0.6783 (p0) cc_final: 0.6535 (p0) REVERT: CY 1 MET cc_start: 0.7433 (tpp) cc_final: 0.6897 (tpp) REVERT: C0 2 GLU cc_start: 0.8934 (tp30) cc_final: 0.8354 (tp30) REVERT: C0 6 LYS cc_start: 0.9301 (mttm) cc_final: 0.8950 (mttm) REVERT: C0 9 LYS cc_start: 0.9139 (tptt) cc_final: 0.8472 (tptp) REVERT: C0 13 ASP cc_start: 0.8784 (m-30) cc_final: 0.7134 (m-30) REVERT: C1 12 LYS cc_start: 0.9268 (tmmt) cc_final: 0.8992 (tmmt) REVERT: C2 1 MET cc_start: 0.8336 (tmm) cc_final: 0.6116 (mpp) REVERT: C2 2 GLU cc_start: 0.8718 (tp30) cc_final: 0.8493 (tp30) REVERT: C4 9 LYS cc_start: 0.9272 (tptm) cc_final: 0.8776 (tppt) REVERT: C5 6 LYS cc_start: 0.9345 (ptpt) cc_final: 0.8844 (ptpp) REVERT: C8 1 MET cc_start: 0.7136 (ptp) cc_final: 0.6587 (ptp) REVERT: C8 9 LYS cc_start: 0.9096 (tptm) cc_final: 0.8735 (tptp) REVERT: C8 13 ASP cc_start: 0.8777 (m-30) cc_final: 0.8244 (m-30) REVERT: C9 1 MET cc_start: 0.6988 (mtm) cc_final: 0.6741 (mtm) REVERT: C9 12 LYS cc_start: 0.9205 (tmmt) cc_final: 0.8959 (tmmt) REVERT: C9 21 ASN cc_start: 0.7432 (p0) cc_final: 0.7024 (p0) REVERT: DB 1 MET cc_start: 0.7970 (ptt) cc_final: 0.7631 (ptt) REVERT: DC 9 LYS cc_start: 0.9208 (tptt) cc_final: 0.8727 (tptp) REVERT: DC 13 ASP cc_start: 0.8770 (m-30) cc_final: 0.8094 (m-30) REVERT: DD 6 LYS cc_start: 0.9350 (ptmt) cc_final: 0.9062 (ptpp) REVERT: DE 9 LYS cc_start: 0.9357 (tppt) cc_final: 0.9100 (tppt) REVERT: DF 15 LEU cc_start: 0.9641 (tp) cc_final: 0.9261 (tp) REVERT: DG 9 LYS cc_start: 0.9172 (tptt) cc_final: 0.8729 (tptt) REVERT: DH 1 MET cc_start: 0.7170 (mtm) cc_final: 0.6912 (mtm) REVERT: DH 21 ASN cc_start: 0.7440 (p0) cc_final: 0.6944 (p0) REVERT: DK 1 MET cc_start: 0.7734 (pmm) cc_final: 0.7163 (pmm) REVERT: DK 2 GLU cc_start: 0.8929 (tp30) cc_final: 0.8577 (tp30) REVERT: DK 9 LYS cc_start: 0.9410 (tptm) cc_final: 0.9030 (tptt) REVERT: DL 1 MET cc_start: 0.7262 (mtm) cc_final: 0.6727 (mtm) REVERT: DM 1 MET cc_start: 0.7636 (tmm) cc_final: 0.6195 (mpp) REVERT: DN 1 MET cc_start: 0.7353 (ptt) cc_final: 0.6841 (ptm) REVERT: DO 9 LYS cc_start: 0.9226 (tptm) cc_final: 0.8711 (tptm) REVERT: DO 13 ASP cc_start: 0.8603 (m-30) cc_final: 0.7617 (m-30) REVERT: DP 6 LYS cc_start: 0.9415 (ptmt) cc_final: 0.9158 (ptpp) REVERT: DP 12 LYS cc_start: 0.9272 (tmmt) cc_final: 0.8949 (tmmt) REVERT: DQ 1 MET cc_start: 0.7305 (ttp) cc_final: 0.6489 (tmm) REVERT: DS 2 GLU cc_start: 0.8764 (tp30) cc_final: 0.8220 (tp30) REVERT: DS 6 LYS cc_start: 0.9181 (mttm) cc_final: 0.8864 (mmtp) REVERT: DS 9 LYS cc_start: 0.9039 (tptt) cc_final: 0.8356 (tptp) REVERT: DS 13 ASP cc_start: 0.8652 (m-30) cc_final: 0.7467 (m-30) REVERT: DT 6 LYS cc_start: 0.9178 (ptpt) cc_final: 0.8947 (pttt) REVERT: DU 1 MET cc_start: 0.8327 (tpt) cc_final: 0.7915 (tpt) REVERT: DV 2 GLU cc_start: 0.8213 (pm20) cc_final: 0.7936 (pm20) REVERT: DW 9 LYS cc_start: 0.9130 (tptm) cc_final: 0.8695 (tptp) REVERT: DW 13 ASP cc_start: 0.8659 (m-30) cc_final: 0.7963 (m-30) REVERT: DX 6 LYS cc_start: 0.9278 (ptpt) cc_final: 0.8964 (ptpp) REVERT: DX 13 ASP cc_start: 0.8837 (t0) cc_final: 0.8567 (t70) REVERT: DX 21 ASN cc_start: 0.7807 (p0) cc_final: 0.7461 (p0) REVERT: DY 1 MET cc_start: 0.7025 (tmm) cc_final: 0.5537 (mpp) REVERT: D0 2 GLU cc_start: 0.8771 (tp30) cc_final: 0.8325 (tp30) REVERT: D0 6 LYS cc_start: 0.9223 (mttm) cc_final: 0.8739 (mmtp) REVERT: D0 9 LYS cc_start: 0.9241 (tptm) cc_final: 0.8845 (tptt) REVERT: D0 18 PHE cc_start: 0.8780 (OUTLIER) cc_final: 0.8335 (t80) REVERT: D2 13 ASP cc_start: 0.8392 (OUTLIER) cc_final: 0.8189 (p0) REVERT: D4 2 GLU cc_start: 0.8848 (tp30) cc_final: 0.8524 (tp30) REVERT: D4 9 LYS cc_start: 0.9296 (tptt) cc_final: 0.9044 (tptm) REVERT: D4 13 ASP cc_start: 0.8676 (m-30) cc_final: 0.8170 (m-30) REVERT: D5 1 MET cc_start: 0.7215 (mtm) cc_final: 0.6925 (mtm) REVERT: D5 21 ASN cc_start: 0.7654 (OUTLIER) cc_final: 0.7171 (p0) REVERT: D6 1 MET cc_start: 0.7241 (tmm) cc_final: 0.6283 (mtt) REVERT: D7 13 ASP cc_start: 0.9052 (t0) cc_final: 0.8519 (t0) REVERT: D8 9 LYS cc_start: 0.9241 (tptm) cc_final: 0.8997 (tptm) REVERT: D9 6 LYS cc_start: 0.9242 (ptpt) cc_final: 0.8945 (ptmm) REVERT: EC 2 GLU cc_start: 0.8933 (tp30) cc_final: 0.8471 (tp30) REVERT: EC 6 LYS cc_start: 0.9339 (mmtt) cc_final: 0.8926 (mmtm) REVERT: EE 1 MET cc_start: 0.7102 (tmm) cc_final: 0.6519 (mpp) REVERT: EF 1 MET cc_start: 0.7963 (pmm) cc_final: 0.7707 (pmm) REVERT: EG 9 LYS cc_start: 0.9313 (tptt) cc_final: 0.8712 (tptm) REVERT: EG 13 ASP cc_start: 0.8760 (m-30) cc_final: 0.7746 (m-30) REVERT: EH 6 LYS cc_start: 0.9267 (ptmt) cc_final: 0.8985 (ptpp) REVERT: EI 1 MET cc_start: 0.6844 (ttp) cc_final: 0.6067 (mpp) REVERT: EK 6 LYS cc_start: 0.9368 (mmtt) cc_final: 0.9132 (mmtm) REVERT: EK 9 LYS cc_start: 0.9109 (tptm) cc_final: 0.8811 (tptt) REVERT: EK 13 ASP cc_start: 0.8580 (m-30) cc_final: 0.7698 (m-30) REVERT: EK 17 LYS cc_start: 0.9235 (mtpt) cc_final: 0.9026 (mtpp) REVERT: EL 12 LYS cc_start: 0.9309 (ttpt) cc_final: 0.9089 (tmmt) REVERT: EN 2 GLU cc_start: 0.8505 (pm20) cc_final: 0.8254 (pm20) REVERT: EN 12 LYS cc_start: 0.9249 (ttpt) cc_final: 0.8717 (tptp) REVERT: EO 9 LYS cc_start: 0.9213 (tptm) cc_final: 0.8947 (tptm) REVERT: EP 1 MET cc_start: 0.7102 (mtm) cc_final: 0.6667 (mmm) REVERT: EP 6 LYS cc_start: 0.9261 (ptmt) cc_final: 0.8955 (ptpp) REVERT: EQ 13 ASP cc_start: 0.9033 (t70) cc_final: 0.8794 (t0) REVERT: ER 1 MET cc_start: 0.6839 (ptt) cc_final: 0.6563 (ptt) REVERT: ES 9 LYS cc_start: 0.9116 (tptm) cc_final: 0.8542 (tptp) REVERT: ES 13 ASP cc_start: 0.8637 (m-30) cc_final: 0.7765 (m-30) REVERT: EU 1 MET cc_start: 0.7355 (tpp) cc_final: 0.6996 (tpp) REVERT: EW 9 LYS cc_start: 0.9198 (tptm) cc_final: 0.8707 (tptp) REVERT: EX 13 ASP cc_start: 0.8842 (t0) cc_final: 0.8485 (t0) REVERT: EY 13 ASP cc_start: 0.8594 (OUTLIER) cc_final: 0.8342 (p0) REVERT: EZ 2 GLU cc_start: 0.8588 (pm20) cc_final: 0.8360 (pm20) REVERT: EZ 12 LYS cc_start: 0.9278 (tttt) cc_final: 0.8752 (tptp) REVERT: E0 9 LYS cc_start: 0.9200 (tptm) cc_final: 0.8960 (tptm) REVERT: E1 6 LYS cc_start: 0.9344 (ptmt) cc_final: 0.9122 (ptpp) REVERT: E2 1 MET cc_start: 0.6720 (ttt) cc_final: 0.5980 (ttt) REVERT: E4 9 LYS cc_start: 0.9189 (tptm) cc_final: 0.8868 (tptm) REVERT: E4 13 ASP cc_start: 0.8659 (m-30) cc_final: 0.8272 (m-30) REVERT: E5 1 MET cc_start: 0.7099 (mtm) cc_final: 0.6783 (mtm) REVERT: E5 6 LYS cc_start: 0.9340 (ptpt) cc_final: 0.9041 (pttt) REVERT: E8 9 LYS cc_start: 0.9211 (tptt) cc_final: 0.8868 (tptm) REVERT: E8 13 ASP cc_start: 0.8500 (m-30) cc_final: 0.7854 (m-30) REVERT: FC 13 ASP cc_start: 0.8468 (m-30) cc_final: 0.7858 (m-30) REVERT: FD 6 LYS cc_start: 0.9261 (ptmt) cc_final: 0.8950 (ptpp) REVERT: FF 12 LYS cc_start: 0.9208 (tttt) cc_final: 0.8752 (tptp) REVERT: FG 9 LYS cc_start: 0.9207 (tptm) cc_final: 0.8984 (tptm) REVERT: FG 13 ASP cc_start: 0.8778 (m-30) cc_final: 0.8431 (m-30) REVERT: FH 6 LYS cc_start: 0.9354 (ptmt) cc_final: 0.8961 (ptpp) REVERT: FH 12 LYS cc_start: 0.9187 (tmmt) cc_final: 0.8960 (tmmt) REVERT: FH 21 ASN cc_start: 0.7698 (OUTLIER) cc_final: 0.7468 (p0) REVERT: FL 6 LYS cc_start: 0.9378 (ptmt) cc_final: 0.9079 (ptpp) REVERT: FO 2 GLU cc_start: 0.8830 (tp30) cc_final: 0.8394 (tp30) REVERT: FO 6 LYS cc_start: 0.9201 (mttm) cc_final: 0.8832 (mttm) REVERT: FQ 1 MET cc_start: 0.7014 (ttm) cc_final: 0.6634 (ttt) REVERT: FS 9 LYS cc_start: 0.9141 (tptt) cc_final: 0.8577 (tptm) REVERT: FS 13 ASP cc_start: 0.8780 (m-30) cc_final: 0.7768 (m-30) REVERT: FT 6 LYS cc_start: 0.9348 (ptmt) cc_final: 0.9082 (ptpp) REVERT: FT 12 LYS cc_start: 0.9313 (tmmt) cc_final: 0.8948 (tmmt) REVERT: FU 1 MET cc_start: 0.6547 (ttt) cc_final: 0.6298 (ttt) REVERT: FW 1 MET cc_start: 0.7688 (pmm) cc_final: 0.7190 (pmm) REVERT: FW 2 GLU cc_start: 0.8812 (tp30) cc_final: 0.8304 (tp30) REVERT: FW 6 LYS cc_start: 0.9368 (mmtt) cc_final: 0.8986 (mmtt) REVERT: FW 18 PHE cc_start: 0.8742 (OUTLIER) cc_final: 0.8284 (t80) REVERT: FX 12 LYS cc_start: 0.9251 (tmmt) cc_final: 0.9003 (tmmt) REVERT: FX 13 ASP cc_start: 0.8878 (t0) cc_final: 0.8648 (t0) REVERT: FX 21 ASN cc_start: 0.7230 (p0) cc_final: 0.6873 (p0) REVERT: F0 2 GLU cc_start: 0.8948 (tp30) cc_final: 0.8660 (tp30) REVERT: F0 6 LYS cc_start: 0.9432 (mmtt) cc_final: 0.9159 (mmtt) REVERT: F0 9 LYS cc_start: 0.9138 (tptt) cc_final: 0.8680 (tptm) REVERT: F0 13 ASP cc_start: 0.8757 (m-30) cc_final: 0.7842 (m-30) REVERT: F0 18 PHE cc_start: 0.8854 (OUTLIER) cc_final: 0.8595 (t80) REVERT: F2 1 MET cc_start: 0.6270 (ttt) cc_final: 0.5886 (ttt) REVERT: F3 12 LYS cc_start: 0.9256 (tttt) cc_final: 0.8756 (tppt) REVERT: F4 13 ASP cc_start: 0.8578 (m-30) cc_final: 0.8135 (m-30) REVERT: F5 6 LYS cc_start: 0.9318 (ptpt) cc_final: 0.8982 (ptmm) REVERT: F8 6 LYS cc_start: 0.9271 (mmtp) cc_final: 0.9026 (mttm) REVERT: F8 9 LYS cc_start: 0.9221 (tptm) cc_final: 0.8753 (tptt) REVERT: F8 13 ASP cc_start: 0.8852 (m-30) cc_final: 0.8330 (m-30) REVERT: F9 6 LYS cc_start: 0.9287 (ptpt) cc_final: 0.9062 (ptpp) REVERT: GB 12 LYS cc_start: 0.9274 (tttt) cc_final: 0.8833 (tppt) REVERT: GC 9 LYS cc_start: 0.9167 (tptm) cc_final: 0.8910 (tptm) REVERT: GC 13 ASP cc_start: 0.8787 (m-30) cc_final: 0.8532 (m-30) REVERT: GD 6 LYS cc_start: 0.9324 (ptmt) cc_final: 0.9031 (ptpp) REVERT: GG 2 GLU cc_start: 0.8733 (tp30) cc_final: 0.8297 (tp30) REVERT: GG 6 LYS cc_start: 0.9189 (mmtt) cc_final: 0.8902 (mmtt) REVERT: GG 9 LYS cc_start: 0.9200 (tptm) cc_final: 0.8741 (tptt) REVERT: GG 13 ASP cc_start: 0.8882 (m-30) cc_final: 0.8086 (m-30) REVERT: GH 12 LYS cc_start: 0.9270 (tmmt) cc_final: 0.9030 (tmmt) REVERT: GH 21 ASN cc_start: 0.7700 (OUTLIER) cc_final: 0.7438 (p0) REVERT: GI 1 MET cc_start: 0.5955 (ttt) cc_final: 0.5261 (ttt) REVERT: GI 2 GLU cc_start: 0.6000 (pt0) cc_final: 0.5603 (pt0) REVERT: GJ 15 LEU cc_start: 0.9681 (tp) cc_final: 0.9471 (tp) REVERT: GK 9 LYS cc_start: 0.9223 (tptm) cc_final: 0.8876 (tptm) REVERT: GK 13 ASP cc_start: 0.8709 (m-30) cc_final: 0.7782 (m-30) REVERT: GL 6 LYS cc_start: 0.9256 (ptmt) cc_final: 0.9005 (ptpp) REVERT: GM 1 MET cc_start: 0.6960 (ttt) cc_final: 0.6617 (ttt) REVERT: GO 9 LYS cc_start: 0.9266 (tptt) cc_final: 0.8807 (tptp) REVERT: GO 13 ASP cc_start: 0.8502 (m-30) cc_final: 0.7498 (m-30) REVERT: GO 17 LYS cc_start: 0.9187 (mtpt) cc_final: 0.8985 (mtpt) REVERT: GP 12 LYS cc_start: 0.9424 (tmmt) cc_final: 0.9155 (tmmt) REVERT: GR 2 GLU cc_start: 0.8410 (pm20) cc_final: 0.8189 (pm20) REVERT: GR 12 LYS cc_start: 0.9305 (tttm) cc_final: 0.8905 (tptp) REVERT: GS 9 LYS cc_start: 0.9183 (tptm) cc_final: 0.8305 (tptm) REVERT: GS 13 ASP cc_start: 0.8751 (OUTLIER) cc_final: 0.7867 (m-30) REVERT: GS 19 LEU cc_start: 0.8147 (OUTLIER) cc_final: 0.7911 (tt) REVERT: GT 1 MET cc_start: 0.7155 (mtm) cc_final: 0.6880 (mtm) REVERT: GW 9 LYS cc_start: 0.9187 (tptm) cc_final: 0.8900 (tptm) REVERT: GW 13 ASP cc_start: 0.8599 (m-30) cc_final: 0.8177 (m-30) REVERT: GX 13 ASP cc_start: 0.8874 (t0) cc_final: 0.8553 (t0) REVERT: G0 2 GLU cc_start: 0.8935 (tp30) cc_final: 0.8417 (tp30) REVERT: G0 9 LYS cc_start: 0.9210 (tptm) cc_final: 0.8602 (tppt) REVERT: G0 13 ASP cc_start: 0.8841 (OUTLIER) cc_final: 0.8246 (m-30) REVERT: G1 1 MET cc_start: 0.6394 (mtm) cc_final: 0.6145 (mtm) REVERT: G1 6 LYS cc_start: 0.9381 (ptmt) cc_final: 0.9033 (ptpp) REVERT: G3 12 LYS cc_start: 0.9407 (ttpt) cc_final: 0.8765 (tptp) REVERT: G4 18 PHE cc_start: 0.8699 (OUTLIER) cc_final: 0.7989 (t80) REVERT: G5 6 LYS cc_start: 0.9316 (ptmt) cc_final: 0.8940 (ptpp) REVERT: G5 18 PHE cc_start: 0.9003 (t80) cc_final: 0.8662 (t80) REVERT: G6 1 MET cc_start: 0.6355 (ttt) cc_final: 0.5882 (ttt) REVERT: G8 9 LYS cc_start: 0.9189 (tptt) cc_final: 0.8766 (tptp) REVERT: G8 13 ASP cc_start: 0.8778 (m-30) cc_final: 0.7764 (m-30) REVERT: G9 6 LYS cc_start: 0.9286 (ptpt) cc_final: 0.8948 (ptpp) REVERT: G9 12 LYS cc_start: 0.9455 (tmmt) cc_final: 0.9237 (tmmt) REVERT: G9 21 ASN cc_start: 0.7676 (OUTLIER) cc_final: 0.7345 (p0) REVERT: HA 1 MET cc_start: 0.6668 (tmt) cc_final: 0.6283 (tmt) REVERT: HC 9 LYS cc_start: 0.9260 (tptt) cc_final: 0.8905 (tptm) REVERT: HD 1 MET cc_start: 0.7349 (mtm) cc_final: 0.7016 (mtm) REVERT: HG 9 LYS cc_start: 0.9138 (tptm) cc_final: 0.8921 (tptm) REVERT: HH 11 PHE cc_start: 0.8939 (OUTLIER) cc_final: 0.8458 (m-80) REVERT: HI 1 MET cc_start: 0.6938 (ttt) cc_final: 0.6686 (ttt) REVERT: HI 2 GLU cc_start: 0.8807 (tp30) cc_final: 0.8564 (tp30) REVERT: HJ 13 ASP cc_start: 0.8909 (t0) cc_final: 0.8286 (t0) REVERT: HL 1 MET cc_start: 0.6986 (mtm) cc_final: 0.6581 (mtm) REVERT: HL 12 LYS cc_start: 0.9282 (tmmt) cc_final: 0.9012 (tmmt) REVERT: HO 9 LYS cc_start: 0.9292 (tptt) cc_final: 0.8568 (tptp) REVERT: HO 13 ASP cc_start: 0.8730 (m-30) cc_final: 0.7247 (m-30) REVERT: HP 6 LYS cc_start: 0.9210 (ptpt) cc_final: 0.8819 (ptpp) REVERT: HP 12 LYS cc_start: 0.9350 (tmmt) cc_final: 0.9090 (tmmt) REVERT: HS 2 GLU cc_start: 0.8863 (tp30) cc_final: 0.8505 (tp30) REVERT: HS 6 LYS cc_start: 0.9300 (mmtt) cc_final: 0.9066 (mmtt) REVERT: HS 13 ASP cc_start: 0.8824 (m-30) cc_final: 0.8409 (m-30) REVERT: HT 12 LYS cc_start: 0.9326 (tmmt) cc_final: 0.9035 (tmmt) REVERT: HU 13 ASP cc_start: 0.8788 (p0) cc_final: 0.8491 (p0) REVERT: HW 9 LYS cc_start: 0.9232 (tptt) cc_final: 0.8889 (tptt) REVERT: HW 13 ASP cc_start: 0.8758 (m-30) cc_final: 0.8187 (m-30) REVERT: HX 6 LYS cc_start: 0.9385 (ptmt) cc_final: 0.9168 (ptpp) REVERT: HY 13 ASP cc_start: 0.8808 (p0) cc_final: 0.8606 (p0) REVERT: HZ 11 PHE cc_start: 0.9148 (m-10) cc_final: 0.8899 (m-80) REVERT: H0 2 GLU cc_start: 0.8836 (tp30) cc_final: 0.8339 (tp30) REVERT: H0 6 LYS cc_start: 0.9386 (mmtt) cc_final: 0.9061 (mmtt) REVERT: H0 13 ASP cc_start: 0.8576 (m-30) cc_final: 0.8329 (m-30) REVERT: H1 12 LYS cc_start: 0.9288 (tmmt) cc_final: 0.9037 (tmmt) REVERT: H4 2 GLU cc_start: 0.8894 (tp30) cc_final: 0.8540 (tp30) REVERT: H4 6 LYS cc_start: 0.9347 (mmtt) cc_final: 0.9081 (mmtt) REVERT: H4 9 LYS cc_start: 0.9213 (tptt) cc_final: 0.8506 (tptt) REVERT: H4 13 ASP cc_start: 0.8692 (m-30) cc_final: 0.7830 (m-30) REVERT: H5 6 LYS cc_start: 0.9221 (ptpt) cc_final: 0.8993 (ptpp) REVERT: H5 21 ASN cc_start: 0.7305 (OUTLIER) cc_final: 0.7100 (p0) REVERT: H7 1 MET cc_start: 0.7188 (ptt) cc_final: 0.6953 (ptt) REVERT: H7 12 LYS cc_start: 0.9032 (tptm) cc_final: 0.8555 (tppt) REVERT: H8 1 MET cc_start: 0.7454 (pmm) cc_final: 0.6932 (pmm) REVERT: H8 9 LYS cc_start: 0.9188 (tptm) cc_final: 0.8753 (tptm) REVERT: H9 6 LYS cc_start: 0.9310 (ptmt) cc_final: 0.8935 (ptmt) REVERT: H9 21 ASN cc_start: 0.7456 (OUTLIER) cc_final: 0.7125 (p0) REVERT: IA 1 MET cc_start: 0.6223 (OUTLIER) cc_final: 0.5731 (ttt) REVERT: IC 9 LYS cc_start: 0.9168 (tptt) cc_final: 0.8799 (tptp) REVERT: IC 13 ASP cc_start: 0.8586 (m-30) cc_final: 0.8058 (m-30) REVERT: ID 1 MET cc_start: 0.7340 (mtm) cc_final: 0.7021 (mtm) REVERT: IF 12 LYS cc_start: 0.9259 (ttpt) cc_final: 0.8902 (tptp) REVERT: IG 2 GLU cc_start: 0.8666 (tp30) cc_final: 0.8442 (tp30) REVERT: IG 9 LYS cc_start: 0.9199 (tptm) cc_final: 0.8715 (tppt) REVERT: IH 6 LYS cc_start: 0.9313 (ptpt) cc_final: 0.9005 (ptpp) REVERT: II 1 MET cc_start: 0.7272 (tmm) cc_final: 0.6987 (tmm) REVERT: IJ 12 LYS cc_start: 0.9299 (ttpt) cc_final: 0.8674 (tppt) REVERT: IK 9 LYS cc_start: 0.9143 (tptt) cc_final: 0.8523 (tptp) REVERT: IK 13 ASP cc_start: 0.8732 (m-30) cc_final: 0.7638 (m-30) REVERT: IL 15 LEU cc_start: 0.8819 (OUTLIER) cc_final: 0.8532 (tp) REVERT: IL 21 ASN cc_start: 0.7629 (p0) cc_final: 0.7379 (p0) REVERT: IM 2 GLU cc_start: 0.8332 (tt0) cc_final: 0.8036 (tt0) REVERT: IO 9 LYS cc_start: 0.9282 (tptt) cc_final: 0.8803 (tptm) REVERT: IO 13 ASP cc_start: 0.8812 (m-30) cc_final: 0.7997 (m-30) REVERT: IP 1 MET cc_start: 0.7332 (mtm) cc_final: 0.6964 (mtm) REVERT: IP 6 LYS cc_start: 0.9330 (ptpt) cc_final: 0.9014 (ptpp) REVERT: IP 12 LYS cc_start: 0.9315 (ttpt) cc_final: 0.9049 (tmmt) REVERT: IQ 3 PHE cc_start: 0.8915 (m-80) cc_final: 0.8492 (m-10) REVERT: IR 1 MET cc_start: 0.7295 (ptm) cc_final: 0.7043 (ptm) REVERT: IR 12 LYS cc_start: 0.9123 (tttt) cc_final: 0.8659 (tppt) REVERT: IS 9 LYS cc_start: 0.9207 (tptt) cc_final: 0.8855 (tptm) REVERT: IS 13 ASP cc_start: 0.8728 (m-30) cc_final: 0.7991 (m-30) REVERT: IT 6 LYS cc_start: 0.9378 (ptmt) cc_final: 0.9077 (ptpp) REVERT: IW 9 LYS cc_start: 0.9300 (tptm) cc_final: 0.8954 (tptm) REVERT: IW 13 ASP cc_start: 0.8938 (m-30) cc_final: 0.8492 (m-30) REVERT: IX 12 LYS cc_start: 0.9256 (tmmt) cc_final: 0.9007 (tmmt) REVERT: IY 2 GLU cc_start: 0.8775 (tp30) cc_final: 0.8397 (tp30) REVERT: I1 1 MET cc_start: 0.7002 (mtm) cc_final: 0.6745 (mmm) REVERT: I4 9 LYS cc_start: 0.9126 (tptm) cc_final: 0.8760 (tptt) REVERT: I4 13 ASP cc_start: 0.8674 (m-30) cc_final: 0.7744 (m-30) REVERT: I7 12 LYS cc_start: 0.9097 (tttt) cc_final: 0.8728 (tppt) REVERT: I9 6 LYS cc_start: 0.9262 (ptmt) cc_final: 0.8955 (ptpp) REVERT: JB 2 GLU cc_start: 0.8526 (pm20) cc_final: 0.8226 (pm20) REVERT: JC 9 LYS cc_start: 0.9071 (tptt) cc_final: 0.8752 (tptm) REVERT: JC 13 ASP cc_start: 0.8723 (m-30) cc_final: 0.7737 (m-30) REVERT: JD 12 LYS cc_start: 0.9305 (tmmt) cc_final: 0.9054 (tmmt) REVERT: JD 21 ASN cc_start: 0.7341 (p0) cc_final: 0.7090 (p0) REVERT: JE 1 MET cc_start: 0.6625 (ttm) cc_final: 0.6327 (ttt) REVERT: JF 12 LYS cc_start: 0.9218 (tptm) cc_final: 0.8673 (tppt) REVERT: JG 9 LYS cc_start: 0.9292 (tptm) cc_final: 0.8901 (tppt) REVERT: JG 13 ASP cc_start: 0.8902 (OUTLIER) cc_final: 0.8478 (m-30) REVERT: JH 12 LYS cc_start: 0.9326 (tmmt) cc_final: 0.9009 (tmmt) REVERT: JH 18 PHE cc_start: 0.8872 (t80) cc_final: 0.8484 (t80) REVERT: JJ 2 GLU cc_start: 0.8401 (pm20) cc_final: 0.8189 (pm20) REVERT: JK 18 PHE cc_start: 0.8851 (OUTLIER) cc_final: 0.8403 (t80) REVERT: JL 13 ASP cc_start: 0.8843 (t70) cc_final: 0.8445 (t0) REVERT: JN 13 ASP cc_start: 0.9064 (t0) cc_final: 0.8656 (t0) REVERT: JO 9 LYS cc_start: 0.9206 (tptm) cc_final: 0.8577 (tptm) REVERT: JO 13 ASP cc_start: 0.8825 (m-30) cc_final: 0.7989 (m-30) REVERT: JP 13 ASP cc_start: 0.8892 (t0) cc_final: 0.8457 (t0) REVERT: JQ 1 MET cc_start: 0.6786 (tmm) cc_final: 0.6526 (tmm) REVERT: JQ 2 GLU cc_start: 0.8869 (tp30) cc_final: 0.8564 (tp30) REVERT: JS 9 LYS cc_start: 0.9256 (tptm) cc_final: 0.8752 (tptp) REVERT: JS 13 ASP cc_start: 0.8622 (m-30) cc_final: 0.7999 (m-30) REVERT: JT 6 LYS cc_start: 0.9272 (ptpt) cc_final: 0.8933 (pttt) REVERT: JW 13 ASP cc_start: 0.8612 (m-30) cc_final: 0.8039 (m-30) REVERT: JX 1 MET cc_start: 0.7086 (mtm) cc_final: 0.6792 (mtm) REVERT: JX 13 ASP cc_start: 0.8852 (t0) cc_final: 0.8620 (t70) REVERT: JY 3 PHE cc_start: 0.8669 (m-80) cc_final: 0.8001 (m-80) REVERT: J0 9 LYS cc_start: 0.9247 (tptm) cc_final: 0.8879 (tptt) REVERT: J0 13 ASP cc_start: 0.8882 (m-30) cc_final: 0.8534 (m-30) REVERT: J0 17 LYS cc_start: 0.9214 (mtpp) cc_final: 0.9002 (mtpt) REVERT: J4 9 LYS cc_start: 0.9233 (tptm) cc_final: 0.8825 (tptt) REVERT: J5 6 LYS cc_start: 0.9260 (ptmt) cc_final: 0.8882 (ptmt) REVERT: J6 1 MET cc_start: 0.5527 (tmm) cc_final: 0.5056 (tmm) REVERT: J8 9 LYS cc_start: 0.9267 (tptm) cc_final: 0.8904 (tptp) REVERT: J8 19 LEU cc_start: 0.8409 (OUTLIER) cc_final: 0.8140 (tt) REVERT: KC 6 LYS cc_start: 0.9256 (mmtm) cc_final: 0.9043 (mmtm) REVERT: KD 6 LYS cc_start: 0.9395 (ptpt) cc_final: 0.9141 (ptpp) REVERT: KD 13 ASP cc_start: 0.8873 (t0) cc_final: 0.8434 (t0) REVERT: KG 2 GLU cc_start: 0.8764 (tp30) cc_final: 0.8308 (tp30) REVERT: KG 6 LYS cc_start: 0.9366 (mmtt) cc_final: 0.8854 (mmtp) REVERT: KG 9 LYS cc_start: 0.9035 (tptm) cc_final: 0.8652 (tptm) REVERT: KH 1 MET cc_start: 0.7218 (mtm) cc_final: 0.6614 (mtm) REVERT: KH 6 LYS cc_start: 0.9059 (ptpp) cc_final: 0.8850 (ptmm) REVERT: KH 15 LEU cc_start: 0.8859 (OUTLIER) cc_final: 0.8459 (tp) REVERT: KJ 2 GLU cc_start: 0.8542 (pm20) cc_final: 0.8228 (pm20) REVERT: KK 9 LYS cc_start: 0.9101 (tptt) cc_final: 0.8697 (tptp) REVERT: KK 13 ASP cc_start: 0.8787 (m-30) cc_final: 0.7319 (m-30) REVERT: KK 18 PHE cc_start: 0.8843 (OUTLIER) cc_final: 0.8612 (t80) REVERT: KO 9 LYS cc_start: 0.9164 (tptt) cc_final: 0.8602 (tptm) REVERT: KO 13 ASP cc_start: 0.8660 (m-30) cc_final: 0.7569 (m-30) REVERT: KO 18 PHE cc_start: 0.8601 (OUTLIER) cc_final: 0.7943 (t80) REVERT: KP 6 LYS cc_start: 0.9263 (ptpt) cc_final: 0.8936 (ptmm) REVERT: KP 12 LYS cc_start: 0.9370 (tmmt) cc_final: 0.9033 (tmmt) REVERT: KR 12 LYS cc_start: 0.9297 (ttpt) cc_final: 0.8860 (tppt) REVERT: KS 2 GLU cc_start: 0.8836 (tp30) cc_final: 0.8145 (tp30) REVERT: KS 6 LYS cc_start: 0.9230 (mmtp) cc_final: 0.9015 (mmtm) REVERT: KS 9 LYS cc_start: 0.9225 (tptm) cc_final: 0.8883 (tptm) REVERT: KS 13 ASP cc_start: 0.8842 (m-30) cc_final: 0.8439 (m-30) REVERT: KV 13 ASP cc_start: 0.8985 (t0) cc_final: 0.8500 (t0) REVERT: KW 13 ASP cc_start: 0.8852 (m-30) cc_final: 0.8520 (m-30) REVERT: KX 6 LYS cc_start: 0.9208 (ptpp) cc_final: 0.8842 (ptmm) REVERT: KZ 12 LYS cc_start: 0.9196 (tttm) cc_final: 0.8642 (tptp) REVERT: K0 2 GLU cc_start: 0.8856 (tp30) cc_final: 0.8494 (tp30) REVERT: K0 6 LYS cc_start: 0.9386 (mmtt) cc_final: 0.9011 (mmtm) REVERT: K0 9 LYS cc_start: 0.9291 (tptm) cc_final: 0.8963 (tptm) REVERT: K0 13 ASP cc_start: 0.8864 (m-30) cc_final: 0.8450 (m-30) REVERT: K1 1 MET cc_start: 0.7165 (mtm) cc_final: 0.6694 (mtm) REVERT: K3 12 LYS cc_start: 0.9232 (tttm) cc_final: 0.8768 (tptp) REVERT: K4 1 MET cc_start: 0.7235 (pmm) cc_final: 0.6896 (pmm) REVERT: K4 9 LYS cc_start: 0.9251 (tptm) cc_final: 0.8765 (tptt) REVERT: K4 13 ASP cc_start: 0.8665 (m-30) cc_final: 0.8212 (m-30) REVERT: K5 12 LYS cc_start: 0.9261 (tmmt) cc_final: 0.9049 (tmmt) REVERT: K8 1 MET cc_start: 0.7537 (pmm) cc_final: 0.6491 (pmm) REVERT: K8 9 LYS cc_start: 0.9228 (tptt) cc_final: 0.8900 (tptp) REVERT: LA 12 LYS cc_start: 0.9001 (tttp) cc_final: 0.8647 (tptm) REVERT: LE 3 PHE cc_start: 0.9123 (m-80) cc_final: 0.8788 (m-80) REVERT: LG 1 MET cc_start: 0.7294 (pmm) cc_final: 0.6608 (pmm) REVERT: LG 9 LYS cc_start: 0.9192 (tptt) cc_final: 0.8839 (tptt) REVERT: LI 9 LYS cc_start: 0.9224 (tppt) cc_final: 0.8936 (tppt) REVERT: LK 2 GLU cc_start: 0.8834 (tp30) cc_final: 0.8147 (tp30) REVERT: LK 6 LYS cc_start: 0.9400 (mmtt) cc_final: 0.8817 (mmtm) REVERT: LK 9 LYS cc_start: 0.9114 (tptm) cc_final: 0.8837 (tptm) REVERT: LK 13 ASP cc_start: 0.8846 (m-30) cc_final: 0.8486 (m-30) REVERT: LL 12 LYS cc_start: 0.9334 (tmmt) cc_final: 0.9063 (tmmt) REVERT: LO 1 MET cc_start: 0.7472 (pmm) cc_final: 0.6900 (pmm) REVERT: LO 2 GLU cc_start: 0.8747 (tp30) cc_final: 0.8511 (tp30) REVERT: LO 9 LYS cc_start: 0.9263 (tptm) cc_final: 0.8920 (tppt) REVERT: LO 13 ASP cc_start: 0.8785 (m-30) cc_final: 0.8536 (m-30) REVERT: LO 17 LYS cc_start: 0.8981 (mtpt) cc_final: 0.8747 (mtpt) REVERT: LS 9 LYS cc_start: 0.9204 (tptt) cc_final: 0.8984 (tptm) REVERT: LS 13 ASP cc_start: 0.8687 (m-30) cc_final: 0.8395 (m-30) REVERT: LW 9 LYS cc_start: 0.9229 (tptt) cc_final: 0.9005 (tptm) REVERT: LW 17 LYS cc_start: 0.9180 (mtpt) cc_final: 0.8900 (tttm) REVERT: LX 6 LYS cc_start: 0.9385 (ptmt) cc_final: 0.9098 (ptpp) REVERT: LX 12 LYS cc_start: 0.9400 (tmmt) cc_final: 0.9060 (tmmt) REVERT: L0 1 MET cc_start: 0.7295 (pmm) cc_final: 0.6739 (pmm) REVERT: L0 19 LEU cc_start: 0.8263 (OUTLIER) cc_final: 0.8001 (tt) REVERT: L4 2 GLU cc_start: 0.8975 (tp30) cc_final: 0.8531 (tp30) REVERT: L4 6 LYS cc_start: 0.9367 (mmtm) cc_final: 0.8977 (mmtp) REVERT: L4 9 LYS cc_start: 0.9213 (tptt) cc_final: 0.8635 (tptp) REVERT: L4 13 ASP cc_start: 0.8688 (m-30) cc_final: 0.7346 (m-30) REVERT: L5 1 MET cc_start: 0.7147 (mtm) cc_final: 0.6844 (mtm) REVERT: L7 13 ASP cc_start: 0.9070 (t0) cc_final: 0.8673 (t0) REVERT: L8 9 LYS cc_start: 0.9225 (tptm) cc_final: 0.8503 (tptm) REVERT: L8 13 ASP cc_start: 0.8840 (m-30) cc_final: 0.7968 (m-30) REVERT: L9 6 LYS cc_start: 0.9340 (ptpt) cc_final: 0.9013 (ptpp) REVERT: L9 12 LYS cc_start: 0.9314 (tmmt) cc_final: 0.9061 (tmmt) REVERT: L9 18 PHE cc_start: 0.8977 (t80) cc_final: 0.8716 (t80) REVERT: MA 1 MET cc_start: 0.7533 (ttp) cc_final: 0.7194 (ttm) REVERT: MB 9 LYS cc_start: 0.9244 (tppt) cc_final: 0.9024 (ttmm) REVERT: MC 2 GLU cc_start: 0.8901 (tp30) cc_final: 0.8675 (tp30) REVERT: MC 9 LYS cc_start: 0.9300 (tptm) cc_final: 0.8886 (tptm) REVERT: MC 13 ASP cc_start: 0.8771 (m-30) cc_final: 0.8106 (m-30) REVERT: MD 6 LYS cc_start: 0.9305 (ptmt) cc_final: 0.8951 (ptpp) REVERT: MD 13 ASP cc_start: 0.8795 (t0) cc_final: 0.8420 (t0) REVERT: MG 2 GLU cc_start: 0.8613 (tp30) cc_final: 0.8285 (tp30) REVERT: MG 13 ASP cc_start: 0.8683 (m-30) cc_final: 0.8148 (m-30) REVERT: MH 6 LYS cc_start: 0.9282 (ptmt) cc_final: 0.9068 (ptpp) REVERT: MH 12 LYS cc_start: 0.9393 (tmmt) cc_final: 0.9064 (tmmt) REVERT: MH 13 ASP cc_start: 0.8906 (t0) cc_final: 0.8592 (t0) REVERT: MK 6 LYS cc_start: 0.9266 (mmtm) cc_final: 0.8885 (mmtm) REVERT: MK 9 LYS cc_start: 0.9291 (tppt) cc_final: 0.8900 (tppt) REVERT: MK 13 ASP cc_start: 0.8949 (OUTLIER) cc_final: 0.8629 (m-30) REVERT: ML 12 LYS cc_start: 0.9395 (tmmt) cc_final: 0.9084 (tmmt) REVERT: MO 2 GLU cc_start: 0.8633 (tp30) cc_final: 0.7765 (tp30) REVERT: MO 6 LYS cc_start: 0.9112 (mtpp) cc_final: 0.8709 (mttm) REVERT: MO 9 LYS cc_start: 0.9139 (tptt) cc_final: 0.8604 (tptp) REVERT: MO 13 ASP cc_start: 0.8760 (m-30) cc_final: 0.7933 (m-30) REVERT: MR 2 GLU cc_start: 0.8427 (pm20) cc_final: 0.8155 (pm20) REVERT: MR 11 PHE cc_start: 0.9030 (m-10) cc_final: 0.8706 (m-80) REVERT: MT 21 ASN cc_start: 0.7035 (p0) cc_final: 0.6691 (p0) REVERT: MW 9 LYS cc_start: 0.9283 (tptm) cc_final: 0.8887 (tptt) REVERT: MW 13 ASP cc_start: 0.8764 (m-30) cc_final: 0.8335 (m-30) REVERT: MX 12 LYS cc_start: 0.9247 (tmmt) cc_final: 0.8952 (tmmt) REVERT: MX 21 ASN cc_start: 0.7096 (p0) cc_final: 0.6778 (p0) REVERT: MZ 1 MET cc_start: 0.7872 (ptt) cc_final: 0.7603 (ptt) REVERT: M0 2 GLU cc_start: 0.8890 (tp30) cc_final: 0.8340 (tp30) REVERT: M0 6 LYS cc_start: 0.9142 (ttmm) cc_final: 0.8864 (mmtp) REVERT: M0 9 LYS cc_start: 0.9129 (tptt) cc_final: 0.8708 (tptp) REVERT: M0 13 ASP cc_start: 0.8772 (m-30) cc_final: 0.8083 (m-30) REVERT: M1 6 LYS cc_start: 0.9305 (ptmt) cc_final: 0.9069 (ptpp) REVERT: M4 9 LYS cc_start: 0.9292 (tptt) cc_final: 0.8990 (tptt) REVERT: M5 12 LYS cc_start: 0.9407 (tttm) cc_final: 0.9129 (tmmt) REVERT: M6 1 MET cc_start: 0.6891 (ttm) cc_final: 0.6341 (ttt) REVERT: M8 9 LYS cc_start: 0.9153 (tptt) cc_final: 0.8437 (tptm) REVERT: M8 13 ASP cc_start: 0.8807 (m-30) cc_final: 0.7686 (m-30) REVERT: M9 2 GLU cc_start: 0.8444 (OUTLIER) cc_final: 0.7208 (tm-30) REVERT: M9 6 LYS cc_start: 0.9210 (ptpt) cc_final: 0.8905 (ptpp) REVERT: NB 12 LYS cc_start: 0.9317 (ttpt) cc_final: 0.8837 (tppt) REVERT: ND 6 LYS cc_start: 0.9358 (ptmt) cc_final: 0.8939 (ptpp) REVERT: ND 13 ASP cc_start: 0.8816 (t0) cc_final: 0.8519 (t0) REVERT: NK 1 MET cc_start: 0.7476 (pmm) cc_final: 0.6897 (pmm) REVERT: NK 9 LYS cc_start: 0.9197 (tptm) cc_final: 0.8953 (tptm) REVERT: NL 13 ASP cc_start: 0.8880 (t0) cc_final: 0.8549 (t0) REVERT: NM 9 LYS cc_start: 0.9357 (tppt) cc_final: 0.9091 (tppt) REVERT: NO 2 GLU cc_start: 0.8764 (tp30) cc_final: 0.8360 (tp30) REVERT: NO 6 LYS cc_start: 0.9311 (mmtt) cc_final: 0.9016 (mmtt) REVERT: NO 9 LYS cc_start: 0.9197 (tptt) cc_final: 0.8612 (tptp) REVERT: NO 13 ASP cc_start: 0.8699 (m-30) cc_final: 0.7758 (m-30) REVERT: NQ 1 MET cc_start: 0.7387 (ttt) cc_final: 0.6973 (ttt) REVERT: NQ 2 GLU cc_start: 0.7513 (pp20) cc_final: 0.6514 (pp20) REVERT: NS 9 LYS cc_start: 0.9215 (tppp) cc_final: 0.8867 (tptt) REVERT: NS 17 LYS cc_start: 0.9033 (mtpt) cc_final: 0.8798 (mtpt) REVERT: NT 6 LYS cc_start: 0.9305 (ptmt) cc_final: 0.8948 (ptmt) REVERT: NT 13 ASP cc_start: 0.8784 (t0) cc_final: 0.8453 (t0) REVERT: NW 6 LYS cc_start: 0.9199 (mmtm) cc_final: 0.8927 (mmtp) REVERT: N0 2 GLU cc_start: 0.8843 (tp30) cc_final: 0.8404 (tp30) REVERT: N0 6 LYS cc_start: 0.9375 (mmtm) cc_final: 0.9135 (mmtt) REVERT: N0 13 ASP cc_start: 0.8514 (m-30) cc_final: 0.8129 (m-30) REVERT: N1 1 MET cc_start: 0.7568 (mtp) cc_final: 0.7029 (mtm) REVERT: N1 18 PHE cc_start: 0.8914 (t80) cc_final: 0.8485 (t80) REVERT: N4 2 GLU cc_start: 0.8837 (tp30) cc_final: 0.8633 (tp30) REVERT: N4 9 LYS cc_start: 0.9237 (tptm) cc_final: 0.8895 (tptt) REVERT: N6 1 MET cc_start: 0.7153 (ttt) cc_final: 0.6552 (ttt) REVERT: N8 9 LYS cc_start: 0.9105 (tptt) cc_final: 0.8822 (tptm) REVERT: N8 13 ASP cc_start: 0.8671 (m-30) cc_final: 0.8225 (m-30) REVERT: N9 13 ASP cc_start: 0.8873 (t0) cc_final: 0.8452 (t0) REVERT: N9 21 ASN cc_start: 0.7489 (OUTLIER) cc_final: 0.7064 (p0) REVERT: OC 9 LYS cc_start: 0.9335 (tptm) cc_final: 0.8693 (tptp) REVERT: OC 13 ASP cc_start: 0.8815 (m-30) cc_final: 0.8062 (m-30) REVERT: OC 18 PHE cc_start: 0.8968 (OUTLIER) cc_final: 0.8733 (t80) REVERT: OD 6 LYS cc_start: 0.9221 (ptmt) cc_final: 0.8937 (ptpp) REVERT: OE 9 LYS cc_start: 0.9278 (tppt) cc_final: 0.9031 (tppt) REVERT: OF 12 LYS cc_start: 0.9216 (tttm) cc_final: 0.8902 (tppt) REVERT: OG 9 LYS cc_start: 0.8984 (tptp) cc_final: 0.8613 (tptt) REVERT: OG 18 PHE cc_start: 0.8681 (OUTLIER) cc_final: 0.7997 (t80) REVERT: OH 6 LYS cc_start: 0.9325 (ptmt) cc_final: 0.8925 (ptmt) REVERT: OJ 12 LYS cc_start: 0.9358 (OUTLIER) cc_final: 0.8657 (tptp) REVERT: OK 2 GLU cc_start: 0.8750 (tp30) cc_final: 0.8489 (tp30) REVERT: OK 9 LYS cc_start: 0.9287 (tptm) cc_final: 0.9002 (tptt) REVERT: OK 13 ASP cc_start: 0.8815 (m-30) cc_final: 0.8395 (m-30) REVERT: OL 15 LEU cc_start: 0.8889 (OUTLIER) cc_final: 0.8639 (tt) REVERT: OO 9 LYS cc_start: 0.9083 (tptt) cc_final: 0.8649 (tptt) REVERT: OP 6 LYS cc_start: 0.9198 (ptmt) cc_final: 0.8934 (ptpp) REVERT: OR 12 LYS cc_start: 0.9334 (ttpt) cc_final: 0.8766 (tppt) REVERT: OR 13 ASP cc_start: 0.9004 (t0) cc_final: 0.8501 (t0) REVERT: OS 9 LYS cc_start: 0.9270 (tptm) cc_final: 0.8485 (tptt) REVERT: OS 13 ASP cc_start: 0.8718 (m-30) cc_final: 0.7567 (m-30) REVERT: OT 1 MET cc_start: 0.7424 (mtm) cc_final: 0.7079 (mtm) REVERT: OT 15 LEU cc_start: 0.9024 (OUTLIER) cc_final: 0.8547 (tp) REVERT: OV 9 LYS cc_start: 0.8998 (ttmm) cc_final: 0.8744 (tppt) REVERT: OX 6 LYS cc_start: 0.9320 (ptmt) cc_final: 0.9004 (ptpp) REVERT: O0 13 ASP cc_start: 0.8733 (OUTLIER) cc_final: 0.8429 (m-30) REVERT: O1 6 LYS cc_start: 0.9362 (ptmt) cc_final: 0.9148 (ptpp) REVERT: O1 12 LYS cc_start: 0.9284 (tmmt) cc_final: 0.9072 (tmmt) REVERT: O2 9 LYS cc_start: 0.9451 (tppt) cc_final: 0.9242 (tppp) REVERT: O3 6 LYS cc_start: 0.9267 (ttmm) cc_final: 0.8980 (mtmm) REVERT: O3 12 LYS cc_start: 0.9203 (ttpt) cc_final: 0.8719 (tppt) REVERT: O4 9 LYS cc_start: 0.9193 (tptm) cc_final: 0.8943 (tptt) REVERT: O4 13 ASP cc_start: 0.8868 (m-30) cc_final: 0.8446 (m-30) REVERT: O4 17 LYS cc_start: 0.9122 (mtpp) cc_final: 0.8832 (mtpp) REVERT: O5 6 LYS cc_start: 0.9359 (ptpt) cc_final: 0.8885 (ptpp) REVERT: O5 13 ASP cc_start: 0.8807 (t0) cc_final: 0.8506 (t70) REVERT: O8 9 LYS cc_start: 0.9196 (tptt) cc_final: 0.8679 (tptp) REVERT: O8 13 ASP cc_start: 0.8613 (m-30) cc_final: 0.7679 (m-30) REVERT: O8 15 LEU cc_start: 0.8434 (OUTLIER) cc_final: 0.8172 (tp) REVERT: PC 2 GLU cc_start: 0.8793 (tp30) cc_final: 0.8541 (tp30) REVERT: PC 9 LYS cc_start: 0.9210 (tptm) cc_final: 0.8493 (tptm) REVERT: PC 13 ASP cc_start: 0.8814 (m-30) cc_final: 0.8033 (m-30) REVERT: PG 9 LYS cc_start: 0.9345 (tptm) cc_final: 0.8962 (tppt) REVERT: PK 13 ASP cc_start: 0.8809 (m-30) cc_final: 0.8529 (m-30) REVERT: PO 9 LYS cc_start: 0.9203 (tptt) cc_final: 0.8574 (tptm) REVERT: PO 13 ASP cc_start: 0.8563 (m-30) cc_final: 0.7611 (m-30) REVERT: PP 6 LYS cc_start: 0.9279 (ptmt) cc_final: 0.9033 (ptpp) REVERT: PS 2 GLU cc_start: 0.9053 (tp30) cc_final: 0.8773 (tp30) REVERT: PS 9 LYS cc_start: 0.9255 (tptm) cc_final: 0.8779 (tptm) REVERT: PS 13 ASP cc_start: 0.8897 (m-30) cc_final: 0.8138 (m-30) REVERT: PT 12 LYS cc_start: 0.9378 (tmmt) cc_final: 0.9096 (tmmt) REVERT: PV 2 GLU cc_start: 0.8749 (pm20) cc_final: 0.8393 (pm20) REVERT: PV 12 LYS cc_start: 0.9289 (tttm) cc_final: 0.8781 (tppt) REVERT: PV 13 ASP cc_start: 0.9092 (t0) cc_final: 0.8458 (t0) REVERT: PW 9 LYS cc_start: 0.9209 (tptt) cc_final: 0.8728 (tptm) REVERT: PW 13 ASP cc_start: 0.8671 (m-30) cc_final: 0.7669 (m-30) REVERT: PX 6 LYS cc_start: 0.9224 (ptmt) cc_final: 0.8938 (ptpp) REVERT: PX 18 PHE cc_start: 0.8947 (t80) cc_final: 0.8653 (t80) REVERT: PZ 12 LYS cc_start: 0.9410 (ttpt) cc_final: 0.8851 (tppt) REVERT: P0 9 LYS cc_start: 0.9190 (tptt) cc_final: 0.8758 (tptm) REVERT: P0 13 ASP cc_start: 0.8688 (m-30) cc_final: 0.7785 (m-30) REVERT: P1 15 LEU cc_start: 0.8700 (OUTLIER) cc_final: 0.8483 (tp) REVERT: P3 9 LYS cc_start: 0.9324 (tppt) cc_final: 0.9086 (ttmm) REVERT: P4 9 LYS cc_start: 0.9161 (tptm) cc_final: 0.8711 (tptt) REVERT: P5 6 LYS cc_start: 0.9236 (ptpt) cc_final: 0.9019 (ptpp) REVERT: P5 12 LYS cc_start: 0.9343 (tmmt) cc_final: 0.9050 (tmmt) REVERT: P7 2 GLU cc_start: 0.8518 (pm20) cc_final: 0.8223 (pm20) REVERT: P8 9 LYS cc_start: 0.9172 (tptm) cc_final: 0.8689 (tptm) REVERT: P8 13 ASP cc_start: 0.8836 (m-30) cc_final: 0.8198 (m-30) REVERT: P9 1 MET cc_start: 0.7403 (mtm) cc_final: 0.6982 (mtm) REVERT: QA 1 MET cc_start: 0.6234 (ttt) cc_final: 0.5842 (ttt) REVERT: QC 9 LYS cc_start: 0.9236 (tptt) cc_final: 0.8827 (tptm) REVERT: QC 13 ASP cc_start: 0.8655 (m-30) cc_final: 0.7969 (m-30) REVERT: QD 6 LYS cc_start: 0.9351 (ptmt) cc_final: 0.9047 (ptpp) REVERT: QG 9 LYS cc_start: 0.9324 (tptt) cc_final: 0.8907 (tptm) REVERT: QG 13 ASP cc_start: 0.8631 (m-30) cc_final: 0.7868 (m-30) REVERT: QH 12 LYS cc_start: 0.9399 (tmmt) cc_final: 0.9139 (tmmt) REVERT: QK 9 LYS cc_start: 0.9139 (tptm) cc_final: 0.8752 (tptm) REVERT: QN 2 GLU cc_start: 0.8390 (pm20) cc_final: 0.7963 (pm20) REVERT: QO 9 LYS cc_start: 0.9161 (tptt) cc_final: 0.8853 (tptt) REVERT: QP 12 LYS cc_start: 0.9344 (tmmt) cc_final: 0.9023 (tmmt) REVERT: QP 15 LEU cc_start: 0.8780 (OUTLIER) cc_final: 0.8523 (tp) REVERT: QQ 1 MET cc_start: 0.6956 (ttp) cc_final: 0.5999 (tmm) REVERT: QS 9 LYS cc_start: 0.9257 (tptm) cc_final: 0.9006 (tppt) REVERT: QT 13 ASP cc_start: 0.8855 (t0) cc_final: 0.8524 (t0) REVERT: QW 9 LYS cc_start: 0.9259 (tptm) cc_final: 0.8827 (tptm) REVERT: QW 13 ASP cc_start: 0.8784 (m-30) cc_final: 0.8141 (m-30) REVERT: QX 1 MET cc_start: 0.7346 (mtm) cc_final: 0.7015 (mtm) REVERT: QX 6 LYS cc_start: 0.9284 (ptmt) cc_final: 0.9070 (ptpp) REVERT: QX 21 ASN cc_start: 0.7594 (p0) cc_final: 0.7325 (p0) REVERT: QZ 12 LYS cc_start: 0.9090 (ttpt) cc_final: 0.8609 (tptp) REVERT: Q0 9 LYS cc_start: 0.9289 (tptm) cc_final: 0.8971 (tptt) REVERT: Q1 12 LYS cc_start: 0.9380 (tmmt) cc_final: 0.9080 (tmmt) REVERT: Q1 13 ASP cc_start: 0.8944 (t0) cc_final: 0.8680 (t0) REVERT: Q1 21 ASN cc_start: 0.7438 (p0) cc_final: 0.7061 (p0) REVERT: Q4 2 GLU cc_start: 0.8983 (tp30) cc_final: 0.8605 (tp30) REVERT: Q4 6 LYS cc_start: 0.9410 (mmtt) cc_final: 0.9094 (mmtp) REVERT: Q4 9 LYS cc_start: 0.9226 (tptt) cc_final: 0.8982 (tptp) REVERT: Q7 2 GLU cc_start: 0.8479 (pm20) cc_final: 0.8219 (pm20) REVERT: Q8 6 LYS cc_start: 0.9474 (mmtt) cc_final: 0.9263 (mmtp) REVERT: Q8 9 LYS cc_start: 0.9224 (tptt) cc_final: 0.8927 (tptt) REVERT: Q8 13 ASP cc_start: 0.8735 (m-30) cc_final: 0.8176 (m-30) REVERT: RA 1 MET cc_start: 0.6718 (OUTLIER) cc_final: 0.6381 (ttm) REVERT: RC 9 LYS cc_start: 0.9240 (tptt) cc_final: 0.8982 (tptm) REVERT: RC 13 ASP cc_start: 0.8650 (m-30) cc_final: 0.8083 (m-30) REVERT: RD 15 LEU cc_start: 0.8790 (OUTLIER) cc_final: 0.8503 (tt) REVERT: RF 2 GLU cc_start: 0.8233 (pm20) cc_final: 0.7860 (pm20) REVERT: RG 9 LYS cc_start: 0.9271 (tptt) cc_final: 0.9007 (tptm) REVERT: RG 13 ASP cc_start: 0.8718 (m-30) cc_final: 0.8139 (m-30) REVERT: RI 1 MET cc_start: 0.6457 (ttt) cc_final: 0.6232 (ttt) REVERT: RJ 12 LYS cc_start: 0.9165 (tttm) cc_final: 0.8791 (tppt) REVERT: RK 9 LYS cc_start: 0.9152 (tptm) cc_final: 0.8798 (tptt) REVERT: RK 13 ASP cc_start: 0.8783 (m-30) cc_final: 0.8306 (m-30) REVERT: RK 18 PHE cc_start: 0.8893 (OUTLIER) cc_final: 0.8396 (t80) REVERT: RL 6 LYS cc_start: 0.8992 (ptpp) cc_final: 0.8779 (ptmm) REVERT: RL 13 ASP cc_start: 0.8917 (t0) cc_final: 0.8566 (t0) REVERT: RM 1 MET cc_start: 0.5924 (tmm) cc_final: 0.5232 (tmm) REVERT: RO 9 LYS cc_start: 0.9212 (tptt) cc_final: 0.8730 (tptp) REVERT: RO 13 ASP cc_start: 0.8774 (m-30) cc_final: 0.7517 (m-30) REVERT: RP 12 LYS cc_start: 0.9474 (tmmt) cc_final: 0.9234 (tmmt) REVERT: RT 6 LYS cc_start: 0.9368 (ptmt) cc_final: 0.9128 (ptpp) REVERT: RV 2 GLU cc_start: 0.8224 (pm20) cc_final: 0.7778 (pm20) REVERT: RV 12 LYS cc_start: 0.9188 (tttt) cc_final: 0.8504 (tptp) REVERT: RW 1 MET cc_start: 0.4207 (OUTLIER) cc_final: 0.2925 (mmt) REVERT: RW 9 LYS cc_start: 0.9303 (tptt) cc_final: 0.8968 (tptm) REVERT: RW 13 ASP cc_start: 0.8581 (m-30) cc_final: 0.7916 (m-30) REVERT: RX 12 LYS cc_start: 0.9282 (tmmt) cc_final: 0.9011 (tmmt) REVERT: RY 1 MET cc_start: 0.6697 (ttt) cc_final: 0.6237 (ttt) REVERT: R0 2 GLU cc_start: 0.8755 (tp30) cc_final: 0.8375 (tp30) REVERT: R1 6 LYS cc_start: 0.9341 (ptmt) cc_final: 0.9108 (ptpp) REVERT: R3 2 GLU cc_start: 0.8560 (pm20) cc_final: 0.8271 (pm20) REVERT: R4 2 GLU cc_start: 0.8820 (tp30) cc_final: 0.8476 (tp30) REVERT: R4 6 LYS cc_start: 0.9404 (mmtm) cc_final: 0.9024 (mmtp) REVERT: R5 6 LYS cc_start: 0.9321 (ptmt) cc_final: 0.8947 (ptmt) REVERT: R8 9 LYS cc_start: 0.9242 (tptm) cc_final: 0.8579 (tptp) REVERT: R8 13 ASP cc_start: 0.8902 (OUTLIER) cc_final: 0.7810 (m-30) REVERT: SC 9 LYS cc_start: 0.9268 (tptt) cc_final: 0.8908 (tptm) REVERT: SC 13 ASP cc_start: 0.8594 (m-30) cc_final: 0.8142 (m-30) REVERT: SC 17 LYS cc_start: 0.9118 (mtpt) cc_final: 0.8835 (mtpt) REVERT: SD 6 LYS cc_start: 0.9274 (ptpt) cc_final: 0.9062 (ptpp) REVERT: SG 2 GLU cc_start: 0.9080 (tp30) cc_final: 0.8742 (tp30) REVERT: SG 6 LYS cc_start: 0.9408 (mmtt) cc_final: 0.9067 (mmtm) REVERT: SG 9 LYS cc_start: 0.9270 (tptm) cc_final: 0.8922 (tptm) REVERT: SG 13 ASP cc_start: 0.8670 (m-30) cc_final: 0.7831 (m-30) REVERT: SG 18 PHE cc_start: 0.8773 (OUTLIER) cc_final: 0.8177 (t80) REVERT: SI 13 ASP cc_start: 0.8428 (OUTLIER) cc_final: 0.8205 (p0) REVERT: SK 2 GLU cc_start: 0.8711 (tp30) cc_final: 0.8066 (tp30) REVERT: SK 6 LYS cc_start: 0.9368 (mmtm) cc_final: 0.8938 (mtpp) REVERT: SK 9 LYS cc_start: 0.9301 (tptm) cc_final: 0.8991 (tptm) REVERT: SK 13 ASP cc_start: 0.8764 (m-30) cc_final: 0.8434 (m-30) REVERT: SO 9 LYS cc_start: 0.9271 (tptm) cc_final: 0.8841 (tptm) REVERT: SP 1 MET cc_start: 0.7457 (mtm) cc_final: 0.7172 (mtm) REVERT: SP 6 LYS cc_start: 0.9110 (ptpp) cc_final: 0.8869 (ptmm) REVERT: SP 12 LYS cc_start: 0.9402 (tmmt) cc_final: 0.9064 (tmmt) REVERT: SS 9 LYS cc_start: 0.9159 (tptm) cc_final: 0.8713 (tptt) REVERT: SS 19 LEU cc_start: 0.7910 (OUTLIER) cc_final: 0.7642 (tt) REVERT: ST 13 ASP cc_start: 0.8860 (t0) cc_final: 0.8550 (t0) REVERT: SU 8 PHE cc_start: 0.9235 (m-80) cc_final: 0.8851 (m-80) REVERT: SV 12 LYS cc_start: 0.9312 (ttpt) cc_final: 0.8835 (tppt) REVERT: SW 9 LYS cc_start: 0.9132 (tptm) cc_final: 0.8869 (tptm) REVERT: SW 13 ASP cc_start: 0.8861 (m-30) cc_final: 0.8493 (m-30) REVERT: SW 17 LYS cc_start: 0.9113 (mtpt) cc_final: 0.8831 (mtpt) REVERT: SW 18 PHE cc_start: 0.8791 (OUTLIER) cc_final: 0.8499 (t80) REVERT: SX 6 LYS cc_start: 0.9245 (ptmt) cc_final: 0.8982 (ptpp) REVERT: S0 9 LYS cc_start: 0.9025 (tptt) cc_final: 0.8742 (tptm) REVERT: S0 13 ASP cc_start: 0.8749 (m-30) cc_final: 0.8034 (m-30) REVERT: S1 6 LYS cc_start: 0.9242 (ptpt) cc_final: 0.8871 (pttt) REVERT: S4 2 GLU cc_start: 0.8820 (tp30) cc_final: 0.8395 (tp30) REVERT: S4 6 LYS cc_start: 0.9281 (mmtp) cc_final: 0.8902 (mmtm) REVERT: S4 9 LYS cc_start: 0.9222 (tptm) cc_final: 0.8913 (tptm) REVERT: S4 17 LYS cc_start: 0.9072 (mtpt) cc_final: 0.8693 (mtpp) REVERT: S4 18 PHE cc_start: 0.8887 (OUTLIER) cc_final: 0.8599 (t80) REVERT: S5 6 LYS cc_start: 0.9284 (ptmt) cc_final: 0.8854 (ptpp) REVERT: S7 11 PHE cc_start: 0.9151 (m-10) cc_final: 0.8813 (m-80) REVERT: S8 2 GLU cc_start: 0.8810 (tp30) cc_final: 0.8524 (tp30) REVERT: TB 9 LYS cc_start: 0.9290 (tppt) cc_final: 0.9077 (ttmm) REVERT: TE 1 MET cc_start: 0.7115 (ttt) cc_final: 0.6771 (tpp) REVERT: TE 13 ASP cc_start: 0.8681 (OUTLIER) cc_final: 0.8444 (p0) REVERT: TG 9 LYS cc_start: 0.9372 (tptm) cc_final: 0.9020 (tptm) REVERT: TG 12 LYS cc_start: 0.6218 (mptt) cc_final: 0.5953 (mptt) REVERT: TK 9 LYS cc_start: 0.9229 (tptt) cc_final: 0.8886 (tptm) REVERT: TK 12 LYS cc_start: 0.9143 (ttmt) cc_final: 0.8690 (mptt) REVERT: TK 13 ASP cc_start: 0.8713 (m-30) cc_final: 0.8066 (m-30) REVERT: TL 12 LYS cc_start: 0.9295 (ttpt) cc_final: 0.9061 (ttpp) REVERT: TO 9 LYS cc_start: 0.9236 (tptt) cc_final: 0.8622 (tptm) REVERT: TO 12 LYS cc_start: 0.9167 (ttmt) cc_final: 0.8862 (mptt) REVERT: TO 13 ASP cc_start: 0.8728 (m-30) cc_final: 0.7574 (m-30) REVERT: TO 17 LYS cc_start: 0.9184 (mtpp) cc_final: 0.8885 (mtpp) REVERT: TP 6 LYS cc_start: 0.9172 (ptpt) cc_final: 0.8891 (pttt) REVERT: TP 13 ASP cc_start: 0.8772 (t0) cc_final: 0.8383 (t0) REVERT: TR 12 LYS cc_start: 0.9133 (tttm) cc_final: 0.8699 (tptt) REVERT: TS 9 LYS cc_start: 0.9282 (tptt) cc_final: 0.8927 (tptm) REVERT: TS 13 ASP cc_start: 0.8546 (m-30) cc_final: 0.7929 (m-30) REVERT: TU 19 LEU cc_start: 0.8523 (pp) cc_final: 0.8292 (mt) REVERT: TV 12 LYS cc_start: 0.9085 (tttm) cc_final: 0.8654 (tppt) REVERT: TW 9 LYS cc_start: 0.9185 (tptt) cc_final: 0.8925 (tptm) REVERT: TW 12 LYS cc_start: 0.9136 (ttmt) cc_final: 0.8818 (mptt) REVERT: TW 13 ASP cc_start: 0.8681 (m-30) cc_final: 0.8101 (m-30) REVERT: TZ 2 GLU cc_start: 0.8362 (pm20) cc_final: 0.8051 (pm20) REVERT: T0 9 LYS cc_start: 0.9137 (tptm) cc_final: 0.8870 (tptm) REVERT: T0 12 LYS cc_start: 0.9126 (ttmt) cc_final: 0.8691 (mptt) REVERT: T4 9 LYS cc_start: 0.9308 (tptt) cc_final: 0.8934 (tptp) REVERT: T4 13 ASP cc_start: 0.8584 (m-30) cc_final: 0.7779 (m-30) REVERT: T5 12 LYS cc_start: 0.9358 (tmmt) cc_final: 0.9034 (tmmt) REVERT: T5 21 ASN cc_start: 0.6848 (p0) cc_final: 0.6552 (p0) REVERT: T7 12 LYS cc_start: 0.9215 (tttm) cc_final: 0.8815 (tptp) REVERT: T8 9 LYS cc_start: 0.9154 (tptt) cc_final: 0.8730 (tptm) REVERT: T8 12 LYS cc_start: 0.9145 (ttmt) cc_final: 0.8744 (mptt) REVERT: T8 13 ASP cc_start: 0.8521 (m-30) cc_final: 0.7692 (m-30) REVERT: UB 9 LYS cc_start: 0.9120 (tppt) cc_final: 0.8868 (ttmm) REVERT: UB 12 LYS cc_start: 0.9075 (tttm) cc_final: 0.8836 (tppt) REVERT: UB 13 ASP cc_start: 0.8987 (t0) cc_final: 0.8553 (t0) REVERT: UC 12 LYS cc_start: 0.8976 (ttmt) cc_final: 0.8516 (mptt) REVERT: UC 18 PHE cc_start: 0.8792 (OUTLIER) cc_final: 0.8306 (t80) REVERT: UE 2 GLU cc_start: 0.8481 (tp30) cc_final: 0.7990 (tp30) REVERT: UG 2 GLU cc_start: 0.8875 (tp30) cc_final: 0.8474 (tp30) REVERT: UG 9 LYS cc_start: 0.9221 (tptm) cc_final: 0.8729 (tptm) REVERT: UG 12 LYS cc_start: 0.9136 (ttmt) cc_final: 0.8799 (mptt) REVERT: UG 13 ASP cc_start: 0.8617 (m-30) cc_final: 0.7964 (m-30) REVERT: UH 6 LYS cc_start: 0.9244 (ptmt) cc_final: 0.8929 (ptpp) REVERT: UJ 9 LYS cc_start: 0.9215 (tppt) cc_final: 0.8995 (ttmm) REVERT: UL 13 ASP cc_start: 0.8833 (t0) cc_final: 0.8582 (t0) REVERT: UL 15 LEU cc_start: 0.8409 (OUTLIER) cc_final: 0.8178 (tt) REVERT: UL 21 ASN cc_start: 0.7634 (p0) cc_final: 0.7161 (p0) REVERT: UM 3 PHE cc_start: 0.9078 (m-80) cc_final: 0.8832 (m-10) REVERT: UO 1 MET cc_start: 0.4773 (OUTLIER) cc_final: 0.4045 (mmt) REVERT: UO 9 LYS cc_start: 0.9194 (tptm) cc_final: 0.8976 (tptt) REVERT: UO 13 ASP cc_start: 0.8722 (m-30) cc_final: 0.8175 (m-30) REVERT: UP 12 LYS cc_start: 0.9391 (tmmt) cc_final: 0.9104 (tmmt) REVERT: UQ 1 MET cc_start: 0.7455 (ttp) cc_final: 0.7125 (ttm) REVERT: UQ 2 GLU cc_start: 0.8446 (tp30) cc_final: 0.8213 (tp30) REVERT: US 9 LYS cc_start: 0.9149 (tptt) cc_final: 0.8776 (tptm) REVERT: US 13 ASP cc_start: 0.8541 (m-30) cc_final: 0.7666 (m-30) REVERT: UT 6 LYS cc_start: 0.9229 (ptmt) cc_final: 0.9004 (ptpp) REVERT: UU 9 LYS cc_start: 0.9229 (tppt) cc_final: 0.8984 (tppt) outliers start: 531 outliers final: 400 residues processed: 5621 average time/residue: 1.3009 time to fit residues: 12513.2938 Evaluate side-chains 5608 residues out of total 14673 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 461 poor density : 5147 time to evaluate : 13.374 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain C residue 2 GLU Chi-restraints excluded: chain C residue 4 VAL Chi-restraints excluded: chain E residue 15 LEU Chi-restraints excluded: chain F residue 15 LEU Chi-restraints excluded: chain G residue 4 VAL Chi-restraints excluded: chain M residue 18 PHE Chi-restraints excluded: chain O residue 4 VAL Chi-restraints excluded: chain R residue 11 PHE Chi-restraints excluded: chain S residue 2 GLU Chi-restraints excluded: chain S residue 4 VAL Chi-restraints excluded: chain T residue 14 LEU Chi-restraints excluded: chain W residue 4 VAL Chi-restraints excluded: chain Y residue 15 LEU Chi-restraints excluded: chain 0 residue 19 LEU Chi-restraints excluded: chain 3 residue 11 PHE Chi-restraints excluded: chain 4 residue 4 VAL Chi-restraints excluded: chain 5 residue 14 LEU Chi-restraints excluded: chain 6 residue 15 LEU Chi-restraints excluded: chain 7 residue 15 LEU Chi-restraints excluded: chain 9 residue 14 LEU Chi-restraints excluded: chain b residue 11 PHE Chi-restraints excluded: chain d residue 14 LEU Chi-restraints excluded: chain e residue 11 PHE Chi-restraints excluded: chain h residue 14 LEU Chi-restraints excluded: chain k residue 2 GLU Chi-restraints excluded: chain m residue 4 VAL Chi-restraints excluded: chain m residue 15 LEU Chi-restraints excluded: chain o residue 2 GLU Chi-restraints excluded: chain s residue 4 VAL Chi-restraints excluded: chain u residue 15 LEU Chi-restraints excluded: chain v residue 3 PHE Chi-restraints excluded: chain v residue 11 PHE Chi-restraints excluded: chain w residue 4 VAL Chi-restraints excluded: chain AA residue 4 VAL Chi-restraints excluded: chain AB residue 14 LEU Chi-restraints excluded: chain AC residue 13 ASP Chi-restraints excluded: chain AE residue 4 VAL Chi-restraints excluded: chain AI residue 4 VAL Chi-restraints excluded: chain AK residue 17 LYS Chi-restraints excluded: chain AL residue 11 PHE Chi-restraints excluded: chain AM residue 4 VAL Chi-restraints excluded: chain AN residue 14 LEU Chi-restraints excluded: chain AQ residue 1 MET Chi-restraints excluded: chain AQ residue 4 VAL Chi-restraints excluded: chain AT residue 3 PHE Chi-restraints excluded: chain AU residue 4 VAL Chi-restraints excluded: chain AU residue 7 LEU Chi-restraints excluded: chain AV residue 14 LEU Chi-restraints excluded: chain AW residue 15 LEU Chi-restraints excluded: chain AW residue 18 PHE Chi-restraints excluded: chain AX residue 21 ASN Chi-restraints excluded: chain AY residue 4 VAL Chi-restraints excluded: chain AZ residue 14 LEU Chi-restraints excluded: chain A0 residue 15 LEU Chi-restraints excluded: chain A4 residue 15 LEU Chi-restraints excluded: chain A5 residue 11 PHE Chi-restraints excluded: chain A6 residue 4 VAL Chi-restraints excluded: chain A9 residue 15 LEU Chi-restraints excluded: chain BA residue 4 VAL Chi-restraints excluded: chain BC residue 15 LEU Chi-restraints excluded: chain BE residue 4 VAL Chi-restraints excluded: chain BF residue 14 LEU Chi-restraints excluded: chain BG residue 14 LEU Chi-restraints excluded: chain BH residue 11 PHE Chi-restraints excluded: chain BJ residue 14 LEU Chi-restraints excluded: chain BM residue 4 VAL Chi-restraints excluded: chain BN residue 14 LEU Chi-restraints excluded: chain BO residue 18 PHE Chi-restraints excluded: chain BQ residue 4 VAL Chi-restraints excluded: chain BR residue 14 LEU Chi-restraints excluded: chain BT residue 22 ASN Chi-restraints excluded: chain BU residue 4 VAL Chi-restraints excluded: chain BY residue 2 GLU Chi-restraints excluded: chain BY residue 4 VAL Chi-restraints excluded: chain B6 residue 4 VAL Chi-restraints excluded: chain B9 residue 3 PHE Chi-restraints excluded: chain CA residue 4 VAL Chi-restraints excluded: chain CE residue 4 VAL Chi-restraints excluded: chain CG residue 18 PHE Chi-restraints excluded: chain CH residue 3 PHE Chi-restraints excluded: chain CI residue 4 VAL Chi-restraints excluded: chain CL residue 11 PHE Chi-restraints excluded: chain CO residue 17 LYS Chi-restraints excluded: chain CQ residue 4 VAL Chi-restraints excluded: chain CR residue 14 LEU Chi-restraints excluded: chain CR residue 19 LEU Chi-restraints excluded: chain CU residue 1 MET Chi-restraints excluded: chain CY residue 4 VAL Chi-restraints excluded: chain CZ residue 14 LEU Chi-restraints excluded: chain C2 residue 4 VAL Chi-restraints excluded: chain C4 residue 15 LEU Chi-restraints excluded: chain C9 residue 11 PHE Chi-restraints excluded: chain DA residue 4 VAL Chi-restraints excluded: chain DA residue 14 LEU Chi-restraints excluded: chain DD residue 11 PHE Chi-restraints excluded: chain DE residue 4 VAL Chi-restraints excluded: chain DH residue 12 LYS Chi-restraints excluded: chain DI residue 4 VAL Chi-restraints excluded: chain DJ residue 14 LEU Chi-restraints excluded: chain DK residue 15 LEU Chi-restraints excluded: chain DL residue 11 PHE Chi-restraints excluded: chain DM residue 4 VAL Chi-restraints excluded: chain DN residue 14 LEU Chi-restraints excluded: chain DQ residue 4 VAL Chi-restraints excluded: chain DT residue 3 PHE Chi-restraints excluded: chain DT residue 11 PHE Chi-restraints excluded: chain DU residue 4 VAL Chi-restraints excluded: chain DV residue 14 LEU Chi-restraints excluded: chain D0 residue 18 PHE Chi-restraints excluded: chain D1 residue 22 ASN Chi-restraints excluded: chain D2 residue 4 VAL Chi-restraints excluded: chain D2 residue 13 ASP Chi-restraints excluded: chain D3 residue 14 LEU Chi-restraints excluded: chain D5 residue 14 LEU Chi-restraints excluded: chain D5 residue 21 ASN Chi-restraints excluded: chain D6 residue 4 VAL Chi-restraints excluded: chain EA residue 4 VAL Chi-restraints excluded: chain EA residue 13 ASP Chi-restraints excluded: chain ED residue 14 LEU Chi-restraints excluded: chain EE residue 4 VAL Chi-restraints excluded: chain EF residue 14 LEU Chi-restraints excluded: chain EL residue 3 PHE Chi-restraints excluded: chain EL residue 11 PHE Chi-restraints excluded: chain EM residue 4 VAL Chi-restraints excluded: chain EP residue 3 PHE Chi-restraints excluded: chain ER residue 14 LEU Chi-restraints excluded: chain EU residue 14 LEU Chi-restraints excluded: chain EV residue 14 LEU Chi-restraints excluded: chain EV residue 19 LEU Chi-restraints excluded: chain EY residue 13 ASP Chi-restraints excluded: chain EZ residue 14 LEU Chi-restraints excluded: chain E1 residue 11 PHE Chi-restraints excluded: chain E2 residue 4 VAL Chi-restraints excluded: chain E6 residue 4 VAL Chi-restraints excluded: chain E9 residue 11 PHE Chi-restraints excluded: chain FA residue 4 VAL Chi-restraints excluded: chain FC residue 15 LEU Chi-restraints excluded: chain FD residue 11 PHE Chi-restraints excluded: chain FE residue 4 VAL Chi-restraints excluded: chain FH residue 11 PHE Chi-restraints excluded: chain FH residue 21 ASN Chi-restraints excluded: chain FK residue 15 LEU Chi-restraints excluded: chain FM residue 4 VAL Chi-restraints excluded: chain FM residue 13 ASP Chi-restraints excluded: chain FN residue 14 LEU Chi-restraints excluded: chain FO residue 15 LEU Chi-restraints excluded: chain FP residue 11 PHE Chi-restraints excluded: chain FQ residue 4 VAL Chi-restraints excluded: chain FS residue 15 LEU Chi-restraints excluded: chain FU residue 4 VAL Chi-restraints excluded: chain FW residue 15 LEU Chi-restraints excluded: chain FW residue 18 PHE Chi-restraints excluded: chain FY residue 4 VAL Chi-restraints excluded: chain FZ residue 14 LEU Chi-restraints excluded: chain F0 residue 18 PHE Chi-restraints excluded: chain F4 residue 15 LEU Chi-restraints excluded: chain F7 residue 14 LEU Chi-restraints excluded: chain GA residue 1 MET Chi-restraints excluded: chain GE residue 4 VAL Chi-restraints excluded: chain GH residue 21 ASN Chi-restraints excluded: chain GJ residue 14 LEU Chi-restraints excluded: chain GN residue 14 LEU Chi-restraints excluded: chain GS residue 13 ASP Chi-restraints excluded: chain GS residue 19 LEU Chi-restraints excluded: chain GT residue 11 PHE Chi-restraints excluded: chain GT residue 14 LEU Chi-restraints excluded: chain GU residue 4 VAL Chi-restraints excluded: chain GY residue 4 VAL Chi-restraints excluded: chain GZ residue 14 LEU Chi-restraints excluded: chain G0 residue 13 ASP Chi-restraints excluded: chain G1 residue 3 PHE Chi-restraints excluded: chain G2 residue 4 VAL Chi-restraints excluded: chain G3 residue 14 LEU Chi-restraints excluded: chain G4 residue 18 PHE Chi-restraints excluded: chain G6 residue 4 VAL Chi-restraints excluded: chain G7 residue 14 LEU Chi-restraints excluded: chain G9 residue 21 ASN Chi-restraints excluded: chain HA residue 4 VAL Chi-restraints excluded: chain HA residue 13 ASP Chi-restraints excluded: chain HB residue 14 LEU Chi-restraints excluded: chain HC residue 15 LEU Chi-restraints excluded: chain HE residue 4 VAL Chi-restraints excluded: chain HH residue 11 PHE Chi-restraints excluded: chain HI residue 4 VAL Chi-restraints excluded: chain HJ residue 14 LEU Chi-restraints excluded: chain HL residue 11 PHE Chi-restraints excluded: chain HM residue 4 VAL Chi-restraints excluded: chain HO residue 15 LEU Chi-restraints excluded: chain HQ residue 4 VAL Chi-restraints excluded: chain HX residue 11 PHE Chi-restraints excluded: chain HY residue 4 VAL Chi-restraints excluded: chain H0 residue 15 LEU Chi-restraints excluded: chain H0 residue 18 PHE Chi-restraints excluded: chain H3 residue 14 LEU Chi-restraints excluded: chain H5 residue 11 PHE Chi-restraints excluded: chain H5 residue 21 ASN Chi-restraints excluded: chain H9 residue 21 ASN Chi-restraints excluded: chain IA residue 1 MET Chi-restraints excluded: chain IA residue 4 VAL Chi-restraints excluded: chain IC residue 4 VAL Chi-restraints excluded: chain IC residue 15 LEU Chi-restraints excluded: chain IC residue 18 PHE Chi-restraints excluded: chain IF residue 14 LEU Chi-restraints excluded: chain IH residue 7 LEU Chi-restraints excluded: chain II residue 4 VAL Chi-restraints excluded: chain IK residue 4 VAL Chi-restraints excluded: chain IK residue 15 LEU Chi-restraints excluded: chain IL residue 15 LEU Chi-restraints excluded: chain IM residue 4 VAL Chi-restraints excluded: chain IM residue 13 ASP Chi-restraints excluded: chain IN residue 14 LEU Chi-restraints excluded: chain IP residue 3 PHE Chi-restraints excluded: chain IP residue 11 PHE Chi-restraints excluded: chain IQ residue 4 VAL Chi-restraints excluded: chain IR residue 14 LEU Chi-restraints excluded: chain IU residue 4 VAL Chi-restraints excluded: chain IV residue 14 LEU Chi-restraints excluded: chain IX residue 3 PHE Chi-restraints excluded: chain IY residue 1 MET Chi-restraints excluded: chain I2 residue 4 VAL Chi-restraints excluded: chain I6 residue 4 VAL Chi-restraints excluded: chain I7 residue 14 LEU Chi-restraints excluded: chain JA residue 4 VAL Chi-restraints excluded: chain JB residue 14 LEU Chi-restraints excluded: chain JD residue 22 ASN Chi-restraints excluded: chain JF residue 14 LEU Chi-restraints excluded: chain JG residue 13 ASP Chi-restraints excluded: chain JG residue 15 LEU Chi-restraints excluded: chain JI residue 4 VAL Chi-restraints excluded: chain JK residue 18 PHE Chi-restraints excluded: chain JL residue 11 PHE Chi-restraints excluded: chain JO residue 15 LEU Chi-restraints excluded: chain JQ residue 4 VAL Chi-restraints excluded: chain JU residue 4 VAL Chi-restraints excluded: chain JU residue 13 ASP Chi-restraints excluded: chain JV residue 14 LEU Chi-restraints excluded: chain JX residue 22 ASN Chi-restraints excluded: chain JY residue 4 VAL Chi-restraints excluded: chain JZ residue 14 LEU Chi-restraints excluded: chain J1 residue 13 ASP Chi-restraints excluded: chain J2 residue 4 VAL Chi-restraints excluded: chain J3 residue 14 LEU Chi-restraints excluded: chain J5 residue 12 LYS Chi-restraints excluded: chain J8 residue 19 LEU Chi-restraints excluded: chain J9 residue 15 LEU Chi-restraints excluded: chain KA residue 4 VAL Chi-restraints excluded: chain KE residue 4 VAL Chi-restraints excluded: chain KH residue 11 PHE Chi-restraints excluded: chain KH residue 15 LEU Chi-restraints excluded: chain KI residue 4 VAL Chi-restraints excluded: chain KK residue 18 PHE Chi-restraints excluded: chain KM residue 4 VAL Chi-restraints excluded: chain KM residue 14 LEU Chi-restraints excluded: chain KO residue 15 LEU Chi-restraints excluded: chain KO residue 18 PHE Chi-restraints excluded: chain KQ residue 4 VAL Chi-restraints excluded: chain KR residue 14 LEU Chi-restraints excluded: chain KU residue 4 VAL Chi-restraints excluded: chain K4 residue 19 LEU Chi-restraints excluded: chain K9 residue 11 PHE Chi-restraints excluded: chain LA residue 4 VAL Chi-restraints excluded: chain LB residue 14 LEU Chi-restraints excluded: chain LD residue 14 LEU Chi-restraints excluded: chain LG residue 15 LEU Chi-restraints excluded: chain LH residue 12 LYS Chi-restraints excluded: chain LI residue 4 VAL Chi-restraints excluded: chain LL residue 11 PHE Chi-restraints excluded: chain LM residue 4 VAL Chi-restraints excluded: chain LP residue 14 LEU Chi-restraints excluded: chain LQ residue 4 VAL Chi-restraints excluded: chain LT residue 3 PHE Chi-restraints excluded: chain LU residue 4 VAL Chi-restraints excluded: chain LU residue 15 LEU Chi-restraints excluded: chain LV residue 14 LEU Chi-restraints excluded: chain LZ residue 15 LEU Chi-restraints excluded: chain L0 residue 19 LEU Chi-restraints excluded: chain L2 residue 4 VAL Chi-restraints excluded: chain L6 residue 4 VAL Chi-restraints excluded: chain MA residue 4 VAL Chi-restraints excluded: chain MG residue 1 MET Chi-restraints excluded: chain MI residue 4 VAL Chi-restraints excluded: chain MK residue 13 ASP Chi-restraints excluded: chain MQ residue 4 VAL Chi-restraints excluded: chain MS residue 15 LEU Chi-restraints excluded: chain MU residue 4 VAL Chi-restraints excluded: chain MV residue 14 LEU Chi-restraints excluded: chain MY residue 4 VAL Chi-restraints excluded: chain M0 residue 15 LEU Chi-restraints excluded: chain M1 residue 13 ASP Chi-restraints excluded: chain M2 residue 4 VAL Chi-restraints excluded: chain M5 residue 3 PHE Chi-restraints excluded: chain M6 residue 14 LEU Chi-restraints excluded: chain M9 residue 2 GLU Chi-restraints excluded: chain M9 residue 3 PHE Chi-restraints excluded: chain NA residue 4 VAL Chi-restraints excluded: chain NF residue 14 LEU Chi-restraints excluded: chain NI residue 4 VAL Chi-restraints excluded: chain NK residue 15 LEU Chi-restraints excluded: chain NL residue 11 PHE Chi-restraints excluded: chain NM residue 4 VAL Chi-restraints excluded: chain NO residue 18 PHE Chi-restraints excluded: chain NQ residue 4 VAL Chi-restraints excluded: chain NR residue 14 LEU Chi-restraints excluded: chain NS residue 15 LEU Chi-restraints excluded: chain NT residue 11 PHE Chi-restraints excluded: chain NU residue 4 VAL Chi-restraints excluded: chain N0 residue 15 LEU Chi-restraints excluded: chain N2 residue 4 VAL Chi-restraints excluded: chain N3 residue 14 LEU Chi-restraints excluded: chain N4 residue 15 LEU Chi-restraints excluded: chain N5 residue 13 ASP Chi-restraints excluded: chain N6 residue 4 VAL Chi-restraints excluded: chain N8 residue 15 LEU Chi-restraints excluded: chain N9 residue 3 PHE Chi-restraints excluded: chain N9 residue 11 PHE Chi-restraints excluded: chain N9 residue 21 ASN Chi-restraints excluded: chain OA residue 4 VAL Chi-restraints excluded: chain OC residue 18 PHE Chi-restraints excluded: chain OG residue 18 PHE Chi-restraints excluded: chain OH residue 3 PHE Chi-restraints excluded: chain OH residue 22 ASN Chi-restraints excluded: chain OJ residue 12 LYS Chi-restraints excluded: chain OJ residue 14 LEU Chi-restraints excluded: chain OL residue 11 PHE Chi-restraints excluded: chain OL residue 15 LEU Chi-restraints excluded: chain OT residue 15 LEU Chi-restraints excluded: chain OU residue 4 VAL Chi-restraints excluded: chain OX residue 1 MET Chi-restraints excluded: chain OX residue 11 PHE Chi-restraints excluded: chain OY residue 4 VAL Chi-restraints excluded: chain O0 residue 13 ASP Chi-restraints excluded: chain O2 residue 4 VAL Chi-restraints excluded: chain O3 residue 14 LEU Chi-restraints excluded: chain O4 residue 1 MET Chi-restraints excluded: chain O7 residue 14 LEU Chi-restraints excluded: chain O8 residue 15 LEU Chi-restraints excluded: chain O9 residue 3 PHE Chi-restraints excluded: chain PA residue 4 VAL Chi-restraints excluded: chain PB residue 14 LEU Chi-restraints excluded: chain PD residue 11 PHE Chi-restraints excluded: chain PE residue 4 VAL Chi-restraints excluded: chain PF residue 14 LEU Chi-restraints excluded: chain PI residue 4 VAL Chi-restraints excluded: chain PJ residue 14 LEU Chi-restraints excluded: chain PL residue 11 PHE Chi-restraints excluded: chain PM residue 4 VAL Chi-restraints excluded: chain PQ residue 4 VAL Chi-restraints excluded: chain PS residue 4 VAL Chi-restraints excluded: chain PW residue 15 LEU Chi-restraints excluded: chain PX residue 11 PHE Chi-restraints excluded: chain PY residue 4 VAL Chi-restraints excluded: chain PZ residue 14 LEU Chi-restraints excluded: chain P0 residue 18 PHE Chi-restraints excluded: chain P1 residue 15 LEU Chi-restraints excluded: chain P2 residue 4 VAL Chi-restraints excluded: chain P6 residue 4 VAL Chi-restraints excluded: chain QA residue 4 VAL Chi-restraints excluded: chain QA residue 13 ASP Chi-restraints excluded: chain QB residue 14 LEU Chi-restraints excluded: chain QC residue 15 LEU Chi-restraints excluded: chain QE residue 4 VAL Chi-restraints excluded: chain QJ residue 14 LEU Chi-restraints excluded: chain QN residue 14 LEU Chi-restraints excluded: chain QP residue 15 LEU Chi-restraints excluded: chain QQ residue 4 VAL Chi-restraints excluded: chain QR residue 14 LEU Chi-restraints excluded: chain QR residue 15 LEU Chi-restraints excluded: chain QS residue 15 LEU Chi-restraints excluded: chain QU residue 4 VAL Chi-restraints excluded: chain QV residue 14 LEU Chi-restraints excluded: chain QW residue 1 MET Chi-restraints excluded: chain QY residue 4 VAL Chi-restraints excluded: chain QY residue 14 LEU Chi-restraints excluded: chain Q1 residue 11 PHE Chi-restraints excluded: chain Q2 residue 4 VAL Chi-restraints excluded: chain Q3 residue 15 LEU Chi-restraints excluded: chain Q4 residue 15 LEU Chi-restraints excluded: chain RA residue 1 MET Chi-restraints excluded: chain RA residue 4 VAL Chi-restraints excluded: chain RD residue 15 LEU Chi-restraints excluded: chain RI residue 4 VAL Chi-restraints excluded: chain RJ residue 14 LEU Chi-restraints excluded: chain RK residue 15 LEU Chi-restraints excluded: chain RK residue 18 PHE Chi-restraints excluded: chain RL residue 11 PHE Chi-restraints excluded: chain RM residue 19 LEU Chi-restraints excluded: chain RQ residue 4 VAL Chi-restraints excluded: chain RS residue 15 LEU Chi-restraints excluded: chain RV residue 4 VAL Chi-restraints excluded: chain RW residue 1 MET Chi-restraints excluded: chain RW residue 15 LEU Chi-restraints excluded: chain RX residue 11 PHE Chi-restraints excluded: chain RY residue 4 VAL Chi-restraints excluded: chain RZ residue 14 LEU Chi-restraints excluded: chain R2 residue 4 VAL Chi-restraints excluded: chain R4 residue 15 LEU Chi-restraints excluded: chain R5 residue 11 PHE Chi-restraints excluded: chain R8 residue 13 ASP Chi-restraints excluded: chain SA residue 13 ASP Chi-restraints excluded: chain SB residue 14 LEU Chi-restraints excluded: chain SD residue 12 LYS Chi-restraints excluded: chain SE residue 1 MET Chi-restraints excluded: chain SF residue 14 LEU Chi-restraints excluded: chain SG residue 18 PHE Chi-restraints excluded: chain SI residue 4 VAL Chi-restraints excluded: chain SI residue 13 ASP Chi-restraints excluded: chain SK residue 15 LEU Chi-restraints excluded: chain SM residue 4 VAL Chi-restraints excluded: chain SO residue 15 LEU Chi-restraints excluded: chain SS residue 19 LEU Chi-restraints excluded: chain ST residue 11 PHE Chi-restraints excluded: chain SV residue 14 LEU Chi-restraints excluded: chain SW residue 18 PHE Chi-restraints excluded: chain SY residue 4 VAL Chi-restraints excluded: chain S0 residue 18 PHE Chi-restraints excluded: chain S1 residue 3 PHE Chi-restraints excluded: chain S1 residue 22 ASN Chi-restraints excluded: chain S2 residue 4 VAL Chi-restraints excluded: chain S4 residue 18 PHE Chi-restraints excluded: chain S5 residue 22 ASN Chi-restraints excluded: chain S6 residue 18 PHE Chi-restraints excluded: chain S7 residue 14 LEU Chi-restraints excluded: chain S8 residue 15 LEU Chi-restraints excluded: chain S9 residue 22 ASN Chi-restraints excluded: chain TA residue 4 VAL Chi-restraints excluded: chain TA residue 13 ASP Chi-restraints excluded: chain TB residue 14 LEU Chi-restraints excluded: chain TE residue 4 VAL Chi-restraints excluded: chain TE residue 13 ASP Chi-restraints excluded: chain TH residue 11 PHE Chi-restraints excluded: chain TJ residue 11 PHE Chi-restraints excluded: chain TM residue 4 VAL Chi-restraints excluded: chain TN residue 14 LEU Chi-restraints excluded: chain TQ residue 4 VAL Chi-restraints excluded: chain TR residue 14 LEU Chi-restraints excluded: chain TT residue 3 PHE Chi-restraints excluded: chain TU residue 4 VAL Chi-restraints excluded: chain TV residue 14 LEU Chi-restraints excluded: chain TW residue 1 MET Chi-restraints excluded: chain TX residue 11 PHE Chi-restraints excluded: chain TX residue 22 ASN Chi-restraints excluded: chain TY residue 1 MET Chi-restraints excluded: chain TY residue 4 VAL Chi-restraints excluded: chain TY residue 19 LEU Chi-restraints excluded: chain TZ residue 14 LEU Chi-restraints excluded: chain T2 residue 4 VAL Chi-restraints excluded: chain T3 residue 11 PHE Chi-restraints excluded: chain T5 residue 11 PHE Chi-restraints excluded: chain T8 residue 15 LEU Chi-restraints excluded: chain T9 residue 22 ASN Chi-restraints excluded: chain UA residue 4 VAL Chi-restraints excluded: chain UB residue 11 PHE Chi-restraints excluded: chain UC residue 18 PHE Chi-restraints excluded: chain UE residue 4 VAL Chi-restraints excluded: chain UH residue 11 PHE Chi-restraints excluded: chain UL residue 15 LEU Chi-restraints excluded: chain UO residue 1 MET Chi-restraints excluded: chain UP residue 11 PHE Chi-restraints excluded: chain UP residue 22 ASN Chi-restraints excluded: chain UQ residue 4 VAL Chi-restraints excluded: chain UT residue 11 PHE Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1608 random chunks: chunk 1013 optimal weight: 9.9990 chunk 1358 optimal weight: 6.9990 chunk 390 optimal weight: 9.9990 chunk 1176 optimal weight: 5.9990 chunk 188 optimal weight: 4.9990 chunk 354 optimal weight: 3.9990 chunk 1277 optimal weight: 6.9990 chunk 534 optimal weight: 4.9990 chunk 1311 optimal weight: 9.9990 chunk 161 optimal weight: 9.9990 chunk 235 optimal weight: 2.9990 overall best weight: 4.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** E 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A5 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** CO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** DK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** ET 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** EW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FP 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** FW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** FX 22 ASN ** GC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** GX 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** HP 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** HX 22 ASN ** H4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** IO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** JK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** KO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** KP 22 ASN ** K4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** LO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MT 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** MW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** MX 22 ASN ** M4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** NW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** OW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O9 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** PD 22 ASN ** PK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** PW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P0 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QL 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** QW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q9 22 ASN ** RD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RG 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** RW 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R4 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** SC 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** SD 22 ASN ** SS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S5 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TK 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** TS 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T8 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UD 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UH 22 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** UO 21 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3368 r_free = 0.3368 target = 0.070386 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 31)----------------| | r_work = 0.3172 r_free = 0.3172 target = 0.060802 restraints weight = 448903.322| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 28)----------------| | r_work = 0.3208 r_free = 0.3208 target = 0.062473 restraints weight = 286788.996| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 27)----------------| | r_work = 0.3233 r_free = 0.3233 target = 0.063667 restraints weight = 203461.914| |-----------------------------------------------------------------------------| r_work (final): 0.3236 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8539 moved from start: 0.4380 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.043 146328 Z= 0.257 Angle : 0.835 17.908 191955 Z= 0.374 Chirality : 0.037 0.212 19497 Planarity : 0.002 0.024 22914 Dihedral : 3.862 28.907 16281 Min Nonbonded Distance : 2.169 Molprobity Statistics. All-atom Clashscore : 11.43 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.52 % Favored : 97.48 % Rotamer: Outliers : 3.50 % Allowed : 34.67 % Favored : 61.83 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.54 (0.07), residues: 15477 helix: 0.66 (0.04), residues: 14686 sheet: None (None), residues: 0 loop : -3.82 (0.06), residues: 791 Max deviation from planes: Type MaxDev MeanDev LineInFile PHE 0.032 0.002 PHEC5 11 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 144485.93 seconds wall clock time: 2461 minutes 1.37 seconds (147661.37 seconds total)