data_2dny_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2dny _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.918 0.389 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 t -109.23 28.04 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.01 107.04 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 46.6 ttp -92.96 143.06 26.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 448' ' ' VAL . 9.3 p -118.97 111.8 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 19.9 mt -88.38 140.84 29.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 450' ' ' ARG . 7.3 mtp-105 -134.59 155.07 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 26.2 t30 62.16 26.26 15.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.463 ' SD ' ' CD1' ' A' ' 498' ' ' ILE . 11.1 ttt -73.32 -68.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.15 139.94 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.71 160.14 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.01 3.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -90.31 -39.87 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.11 -22.59 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 46.1 mm -47.57 108.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -138.34 165.93 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -56.27 -16.35 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -84.6 -42.88 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 463' ' ' GLU . 20.3 tp -43.56 -62.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 462' ' ' LEU . 18.7 tt0 -36.57 -57.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.05 -45.34 93.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.06 -33.5 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 21.2 m -66.42 -48.91 68.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -68.46 -30.11 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.45 -36.45 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 57.7 m -76.51 -30.18 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.91 -27.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.48 -55.38 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -52.31 -59.11 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -164.63 -159.2 10.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.28 109.95 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.34 117.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.12 -53.38 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -167.29 160.53 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 480' ' ' ILE . 84.4 t -130.23 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . 0.46 ' N ' HG11 ' A' ' 479' ' ' VAL . 20.4 mt -131.74 125.52 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 65.7 mt -105.8 113.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -120.8 125.87 48.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -136.99 149.52 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -167.51 174.84 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.859 0.361 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 11.5 mm -124.78 119.31 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.456 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.9 pp -92.47 168.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 75.3 t -136.94 120.56 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -107.1 109.66 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . 0.463 ' CD1' ' SD ' ' A' ' 452' ' ' MET . 59.5 mt -102.11 110.96 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.77 128.09 42.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 41.0 t -122.6 104.63 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.98 129.35 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -104.72 -176.93 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 35.1 t -82.2 -34.41 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 162.23 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.75 70.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.6 t -46.69 -58.11 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -50.91 -51.11 55.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 98.3 m -53.4 -45.97 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.53 -41.19 76.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -61.18 -57.83 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -51.43 -35.47 39.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 516' ' ' ASN . 97.2 mt -73.51 -52.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.74 -24.73 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -94.73 -63.53 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.6 -9.83 4.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 1.0 OUTLIER -59.57 -10.7 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.13 36.15 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -76.6 162.01 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -106.45 117.13 33.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 522' ' ' GLY . 34.8 t80 -87.37 157.85 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.4 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.89 84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.31 21.09 65.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -154.61 171.18 19.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -108.45 140.29 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 43.1 t -108.58 145.24 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.79 111.37 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.5 116.06 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -111.77 165.07 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 1.9 p -94.46 128.41 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 24.4 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.954 0.406 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.405 ' C ' HG23 ' A' ' 508' ' ' THR . 1.3 t -116.27 7.42 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 17.4 t -100.06 132.24 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 45.0 ttp -121.72 158.68 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.415 ' CG1' ' HB2' ' A' ' 528' ' ' GLU . 2.3 p -131.94 123.0 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 51.6 mt -101.8 134.81 44.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -133.74 153.78 51.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 21.8 t30 60.31 47.47 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 8.0 ttt -113.17 -58.16 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.54 119.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.79 160.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -0.85 7.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -90.75 -12.92 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -102.84 8.25 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.19 101.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.62 168.19 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.32 -42.41 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.79 96.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 37.6 tp -43.03 -54.99 4.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.01 -58.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -52.86 -45.21 61.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.84 -58.92 5.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 62.3 t -53.21 -37.17 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.3 m -60.79 -49.5 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.02 -14.02 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -79.86 -38.45 32.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 0.439 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 71.9 m -75.99 -31.63 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -40.27 -33.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -51.89 -46.15 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 36.1 m-85 -59.93 -59.27 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.66 -152.94 7.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.46 110.0 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 70.1 t -68.2 147.73 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 1.9 t-20 -108.23 -60.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -165.55 158.51 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.6 t -130.35 132.72 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 90.4 mt -124.64 126.9 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.98 104.97 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -109.99 123.49 49.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 483' ' ' GLN . 0.0 OUTLIER -131.35 127.24 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -163.52 145.11 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . 0.458 ' CA ' HD13 ' A' ' 494' ' ' ILE . 1.2 ttmp? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . 0.458 HD13 ' CA ' ' A' ' 485' ' ' LYS . 17.5 mm -67.42 128.62 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.468 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.7 pp -95.95 166.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.43 100.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -97.42 110.6 23.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -98.99 131.38 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.17 126.51 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.37 112.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 51.1 tt0 -105.19 143.12 33.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 502' ' ' PHE . 4.0 m-85 -116.52 173.18 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.3 t -64.32 -48.99 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . 0.432 ' CG1' ' HG2' ' A' ' 507' ' ' GLU . 13.8 pt -113.82 172.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -81.81 -30.68 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 3.1 t -54.24 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.432 ' HG2' ' CG1' ' A' ' 504' ' ' ILE . 22.1 mm-40 -45.06 -48.56 11.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.405 HG23 ' C ' ' A' ' 445' ' ' THR . 43.8 m -54.29 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.83 -42.04 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.44 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.532 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -40.99 -36.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.41 -58.04 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -44.86 -24.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -96.15 -56.34 2.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 518' ' ' ARG . 9.4 mt -63.64 -9.23 12.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -60.2 -11.52 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 27.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . 0.406 ' CG ' ' HA ' ' A' ' 515' ' ' LEU . 13.7 mmt180 -64.38 160.17 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -108.41 119.25 38.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 30.0 t80 -89.63 158.03 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.497 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.85 85.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.73 15.14 78.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -147.62 171.2 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -107.57 146.18 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.411 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 79.5 t -113.66 147.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.83 122.5 38.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -108.8 148.24 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.415 ' HB2' ' CG1' ' A' ' 448' ' ' VAL . 17.0 mt-10 -150.29 157.51 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 529' ' ' VAL . 3.9 p -94.31 119.45 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 15.9 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.98 0.419 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.3 t -114.01 11.41 17.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 16.0 t -105.31 106.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 44.6 ttp -100.07 155.28 17.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.45 ' CG1' ' CG ' ' A' ' 528' ' ' GLU . 7.1 p -131.43 130.95 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 12.6 mt -103.57 140.77 37.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -139.69 140.78 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 28.6 t30 70.39 44.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 13.6 ttm -99.34 -53.17 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.32 142.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 160.75 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.703 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.281 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 457' ' ' ASP . 20.2 pttp -91.41 -36.59 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 456' ' ' LYS . 15.4 t0 -70.6 -28.62 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 457' ' ' ASP . 43.8 mm -36.52 123.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -150.9 152.6 33.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.97 -24.72 6.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 -33.63 44.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 32.8 tp -50.61 -58.39 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -39.16 -50.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.34 79.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -52.23 -50.74 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.53 -42.9 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 51.4 m -59.57 -45.21 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -72.4 -28.86 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.43 -35.44 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 471' ' ' GLY . 78.0 m -75.11 -36.97 61.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -37.67 -36.52 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -51.87 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 26.7 m-85 -57.83 -44.82 86.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.44 163.41 28.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -47.62 110.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.15 135.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -103.06 -55.84 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -145.99 151.54 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -142.86 116.1 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.36 132.58 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 79.7 mt -110.85 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -108.04 146.0 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.97 140.41 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -159.75 170.33 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.01 113.6 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.464 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.2 pp -85.2 171.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 90.0 t -134.97 109.78 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -99.13 115.02 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 49.7 mt -106.73 128.61 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -105.06 125.1 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 81.7 t -130.8 101.74 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -102.72 141.88 34.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -113.02 179.76 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 22.4 t -68.58 -47.91 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.0 166.29 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.64 -34.37 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -48.92 -62.34 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.95 -50.51 26.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -42.59 -44.06 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.72 -61.64 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -42.76 -37.89 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 516' ' ' ASN . 25.9 mt -73.55 -50.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -49.27 -29.46 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.1 -54.75 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . 0.425 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 16.1 mt -65.69 -8.85 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 512' ' ' ILE . 0.7 OUTLIER -64.21 -7.12 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.94 33.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -69.82 154.5 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -107.29 114.19 28.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 522' ' ' GLY . 24.1 t80 -84.08 157.77 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.482 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -53.24 83.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.95 18.7 60.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -152.77 171.12 18.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -117.11 143.43 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 526' ' ' VAL . 90.4 t -112.09 156.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' A' ' 525' ' ' VAL . 67.6 t -141.27 108.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.34 148.84 28.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.45 ' CG ' ' CG1' ' A' ' 448' ' ' VAL . 7.9 pt-20 -153.61 170.97 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 529' ' ' VAL . 10.6 p -94.78 111.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 42.8 t80 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.9 t -95.25 21.57 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.25 112.23 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 56.1 ttp -100.94 155.87 17.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 13.3 p -133.46 118.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 62.2 mt -93.21 127.39 38.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -121.31 151.51 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 55.76 45.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.4 ttt -93.94 -59.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.413 HG11 ' CZ ' ' A' ' 520' ' ' PHE . 4.7 m -144.1 149.07 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.3 161.45 69.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -90.95 -38.1 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 458' ' ' ILE . 7.9 t0 -72.52 -32.82 66.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 457' ' ' ASP . 46.4 mm -34.03 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -136.77 161.6 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.0 -41.79 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 463' ' ' GLU . 32.5 tp -54.06 -58.62 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.2 tt0 -34.94 -53.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.76 98.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -50.39 -45.27 55.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.22 -35.85 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.7 m -61.39 -50.73 71.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.98 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -54.55 -37.18 65.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 34.9 m -73.22 -33.42 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -46.38 -41.83 12.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -43.91 -50.24 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 30.1 m-85 -58.75 -58.0 10.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.78 -174.35 36.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -62.87 109.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.364 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.93 136.4 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 5.0 t-20 -95.57 -54.84 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -165.47 157.82 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 97.2 t -133.16 137.84 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.86 138.78 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 52.4 mt -116.4 103.47 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -108.84 141.4 40.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -146.9 149.08 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -165.44 156.05 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.4 mm -109.53 130.34 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.485 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.5 pp -103.32 162.72 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 97.6 t -140.14 134.54 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -126.5 109.71 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 81.3 mt -95.98 113.58 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -90.83 111.04 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.92 103.77 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 33.5 tt0 -98.88 137.35 37.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -112.54 171.54 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.6 t -57.21 -51.66 68.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 16.2 pt -121.89 165.15 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.75 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.8 m -48.91 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -50.11 -42.0 49.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 10.8 m -59.71 -56.69 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -47.91 -41.99 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -58.62 -58.5 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.41 -46.04 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 516' ' ' ASN . 95.6 mt -59.96 -57.08 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -48.88 -30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -56.52 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 23.8 mt -87.66 24.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 2.5 t30 -85.46 -1.0 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -171.17 34.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -80.63 154.07 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -100.64 111.81 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.47 ' HB2' ' CG2' ' A' ' 525' ' ' VAL . 21.1 t80 -85.25 157.89 20.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.95 98.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 64.91 29.85 76.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -162.97 166.09 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -111.36 143.17 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 65.0 t -108.41 143.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 81.8 t -139.68 111.74 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.18 141.15 29.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -141.51 164.29 30.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 14.5 p -106.57 111.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -93.72 13.55 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 63.3 t -110.96 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 35.8 ttp -98.07 152.32 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 9.5 p -128.24 128.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 57.1 mt -105.97 132.35 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 450' ' ' ARG . 11.8 mtp-105 -127.75 140.12 52.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.6 t30 73.99 36.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.1 ttt -91.15 -56.7 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 23.1 m -147.5 121.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.62 161.04 0.42 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . 0.406 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.5 Cg_endo -69.73 1.84 4.06 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -89.34 -29.6 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -92.4 16.47 11.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.406 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 21.0 mm -72.19 100.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.36 168.56 14.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.83 -39.97 91.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.07 -43.25 99.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 463' ' ' GLU . 26.9 tp -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 462' ' ' LEU . 14.1 tm-20 -34.88 -58.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -54.83 -45.81 78.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.45 -45.67 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.23 -44.36 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.8 m -57.31 -52.85 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 471' ' ' GLY . 13.1 mm-40 -58.07 -65.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -40.1 -46.8 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 86.1 m -58.93 -37.82 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 468' ' ' GLU . . . -40.01 -46.02 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -38.94 -55.0 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.854 0.359 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.487 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 55.9 m-85 -51.84 -55.83 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -173.1 -136.37 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -98.91 110.78 23.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.93 129.73 36.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -85.44 -49.99 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.4 ptm85 -168.39 168.04 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.827 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 69.8 t -142.22 145.44 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 481' ' ' ILE . 73.8 mt -140.95 135.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.451 ' N ' HG23 ' A' ' 480' ' ' ILE . 56.7 mt -110.64 107.87 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.74 139.33 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -144.61 161.12 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 485' ' ' LYS . 11.1 tt0 -168.23 152.72 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 494' ' ' ILE . 10.7 tttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 24.4 mm -121.82 108.95 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.52 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.6 pp -82.11 170.97 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 70.9 t -144.04 123.93 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -110.14 109.69 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.02 117.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.96 124.68 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 43.6 t -130.27 100.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -98.64 136.69 38.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -105.6 -177.9 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.4 m -74.7 -39.11 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.6 pt -126.12 168.52 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.37 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 12.1 t -43.62 -66.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -42.36 -44.38 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -61.67 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -40.51 -39.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -64.32 -58.65 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.487 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -47.3 -35.32 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 75.1 mt -75.82 -45.3 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -51.14 -35.96 38.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.93 -59.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.97 -21.16 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.407 ' ND2' ' C ' ' A' ' 516' ' ' ASN . 0.5 OUTLIER -47.61 -19.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -158.59 33.38 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.95 159.65 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -110.24 113.16 25.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 522' ' ' GLY . 23.9 t80 -84.45 158.13 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.6 85.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.32 17.0 70.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.43 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -150.51 171.15 17.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -114.99 140.01 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 75.9 t -108.88 149.43 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.24 108.95 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.02 133.62 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -140.15 174.76 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.39 112.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 23.0 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.973 0.416 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.0 t -116.16 8.63 14.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 30.3 t -105.0 127.05 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.462 ' HG2' ' N ' ' A' ' 448' ' ' VAL . 39.0 ttp -121.33 161.55 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.462 ' N ' ' HG2' ' A' ' 447' ' ' MET . 1.5 p -132.75 124.29 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 22.7 mt -105.36 126.12 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -124.48 151.2 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.5 t30 66.56 31.19 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 3.5 ttt -83.04 -59.32 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 23.4 m -147.19 147.96 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.38 160.11 44.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -1.33 8.23 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -93.47 -6.51 46.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.63 4.07 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.01 112.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -148.11 149.45 32.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -30.53 2.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.5 -43.69 63.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 34.2 tp -48.52 -51.2 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -41.58 -55.52 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.31 -42.32 99.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -51.11 -51.83 49.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.98 -44.26 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 28.4 m -57.15 -41.75 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -64.49 -50.57 66.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.38 -48.2 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 97.2 m -59.34 -33.72 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.08 -33.59 3.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -48.5 66.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 511' ' ' ALA . 38.4 m-85 -60.26 -54.01 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -170.4 -141.92 3.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -93.18 116.43 29.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.88 120.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.69 -56.94 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -163.41 158.13 20.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.49 144.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 481' ' ' ILE . 60.7 mt -139.0 141.37 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.405 ' N ' HG22 ' A' ' 480' ' ' ILE . 83.6 mt -118.0 105.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.53 129.58 56.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -138.2 152.62 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -172.26 160.26 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 47.2 mm -113.78 111.59 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.476 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.8 pp -80.23 163.45 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 72.7 t -140.4 115.36 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -103.85 114.47 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.08 109.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -88.46 124.49 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.4 108.86 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -106.56 137.3 44.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -107.34 171.37 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 42.7 t -59.8 -48.73 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 7.3 pt -115.82 173.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -78.54 -44.66 23.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 8.4 t -45.72 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -44.24 -53.35 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 4.0 m -53.37 -58.86 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -42.68 -40.44 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.37 -54.21 32.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.566 ' HB2' ' CD2' ' A' ' 473' ' ' PHE . . . -49.69 -40.46 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.5 mt -68.09 -52.59 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -47.18 -36.76 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.61 -55.38 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.36 -1.28 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 512' ' ' ILE . 1.4 t-20 -68.81 -10.28 55.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 17.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -56.96 158.47 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -113.91 109.48 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 34.1 t80 -79.24 158.2 27.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.431 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.95 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 75.4 13.65 82.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -147.71 170.61 17.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -112.11 148.07 34.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 151.27 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 20.6 t -141.32 118.47 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.93 129.13 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -135.61 170.44 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.94 107.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.5 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 t -97.54 26.99 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.82 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 53.3 ttp -96.48 153.24 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.448 ' CG1' ' HG3' ' A' ' 528' ' ' GLU . 9.9 p -137.14 137.68 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 527' ' ' ALA . 85.0 mt -114.05 135.74 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . 0.488 ' CZ ' ' OE2' ' A' ' 528' ' ' GLU . 44.1 mtm180 -128.61 143.71 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 29.62 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 5.1 ttp -86.36 -64.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 14.4 m -139.75 132.15 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . 0.43 ' OD2' ' NH2' ' A' ' 523' ' ' ARG . 2.2 m-20 -62.02 159.67 35.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.618 0.723 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.63 4.22 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -87.85 -19.39 27.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -100.73 13.42 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.16 102.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -130.9 168.22 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.04 -31.67 62.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.13 -39.25 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 28.5 tp -49.14 -55.23 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -40.78 -54.24 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.28 -46.87 93.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -53.23 -53.92 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.06 -36.67 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 23.4 m -63.87 -46.88 82.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.23 -23.87 63.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.62 -46.89 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 471' ' ' GLY . 99.6 m -63.83 -45.48 89.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -34.75 -39.24 0.15 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -45.65 -50.22 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 24.2 m-85 -62.42 -45.08 94.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -177.51 -178.77 47.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 84.5 t -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -83.66 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 478' ' ' ARG . 1.4 ptp180 -153.52 164.94 37.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 47.4 t -143.64 126.95 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.07 136.35 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.2 mt -113.9 96.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -101.69 153.37 19.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.02 136.04 24.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.81 163.18 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 6.6 mm -96.19 137.6 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.441 HD13 ' C ' ' A' ' 495' ' ' ILE . 2.9 pp -123.27 167.55 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 86.3 t -128.89 123.7 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -98.71 116.03 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.61 122.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.83 134.69 47.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.443 HG11 ' CE1' ' A' ' 502' ' ' PHE . 98.4 t -137.14 108.35 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -104.65 140.5 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . 0.443 ' CE1' HG11 ' A' ' 500' ' ' VAL . 7.8 m-85 -114.8 179.81 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 92.9 p -68.44 -41.54 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . 0.456 ' CD1' ' HG2' ' A' ' 507' ' ' GLU . 6.7 pt -121.64 173.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.96 -34.37 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.2 t -49.13 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.456 ' HG2' ' CD1' ' A' ' 504' ' ' ILE . 5.2 mm-40 -46.21 -45.46 16.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 81.9 m -55.25 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -44.28 -45.27 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -59.51 -54.44 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.552 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.69 -46.36 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 516' ' ' ASN . 66.9 mt -63.77 -54.1 36.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -49.88 -27.33 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -86.92 -52.42 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . 0.417 ' CD2' ' HG3' ' A' ' 518' ' ' ARG . 43.1 mt -89.17 19.94 4.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.6 t30 -79.11 -5.9 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -164.78 23.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . 0.417 ' HG3' ' CD2' ' A' ' 515' ' ' LEU . 9.4 mmt180 -64.53 159.89 20.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -108.63 120.76 43.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 28.1 t80 -92.19 158.46 16.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.536 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.95 86.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.44 13.38 81.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . 0.43 ' NH2' ' OD2' ' A' ' 454' ' ' ASP . 66.0 mtt180 -145.84 171.4 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -117.39 140.03 50.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 90.3 t -105.47 143.59 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . 0.403 HG12 ' NH2' ' A' ' 450' ' ' ARG . 90.5 t -137.27 107.36 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . 0.423 ' HB3' ' CD2' ' A' ' 449' ' ' LEU . . . -96.61 144.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.488 ' OE2' ' CZ ' ' A' ' 450' ' ' ARG . 5.1 pt-20 -159.29 170.72 21.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.37 120.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.958 0.409 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.4 t -109.86 16.09 22.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.28 125.85 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.469 ' SD ' ' CD2' ' A' ' 449' ' ' LEU . 8.8 tmm? -119.18 132.69 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.48 137.7 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.469 ' CD2' ' SD ' ' A' ' 447' ' ' MET . 19.8 mt -112.23 130.38 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -124.86 144.05 50.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.0 t30 71.48 36.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 14.2 ttt -89.48 -66.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.23 131.6 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.09 158.52 1.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -0.94 7.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -87.98 -22.75 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.88 4.41 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 28.4 mm -58.53 107.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -137.22 166.73 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.71 -11.55 60.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -87.5 -35.86 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 463' ' ' GLU . 17.5 tp -50.42 -63.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' LEU . 7.3 tt0 -34.64 -58.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -53.18 -44.72 64.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -53.88 -60.71 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.77 -32.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 48.3 m -67.34 -52.03 45.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.38 -17.1 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -82.45 -40.24 21.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 28.9 m -73.73 -22.75 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -49.22 -40.33 29.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.435 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -46.54 -47.84 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -61.41 -55.48 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.29 -165.87 29.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -72.96 109.06 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.88 120.05 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.73 -52.65 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 478' ' ' ARG . 4.2 ptm85 -167.39 165.14 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 480' ' ' ILE . 64.8 t -138.48 142.06 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . 0.468 ' N ' HG13 ' A' ' 479' ' ' VAL . 45.5 mt -132.09 132.44 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.12 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -108.62 137.85 45.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -141.32 156.78 45.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -174.88 165.1 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 18.8 mm -108.46 118.32 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.539 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.2 pp -82.63 172.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . 0.44 ' N ' HD11 ' A' ' 495' ' ' ILE . 88.8 t -151.7 107.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -98.75 112.16 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 65.2 mt -97.3 113.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' A' ' 530' ' ' TYR . 47.0 m-85 -94.76 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 83.2 t -133.27 104.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.44 133.02 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -110.6 176.61 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -46.81 70.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.9 pt -123.08 165.73 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -70.53 -38.0 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 23.2 t -50.22 -62.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -45.69 -43.92 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 27.2 m -62.71 -59.62 4.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -40.85 -40.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -67.16 -58.77 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -43.45 -37.52 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' A' ' 516' ' ' ASN . 68.7 mt -74.27 -43.62 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.59 -27.6 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -97.22 -53.78 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . 0.416 ' CD1' ' HE2' ' A' ' 447' ' ' MET . 29.4 mt -66.2 -4.49 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 0.9 OUTLIER -68.19 -8.5 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.82 19.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -56.85 157.84 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -109.79 120.71 43.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 522' ' ' GLY . 29.6 t80 -90.66 157.96 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.484 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.37 85.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.95 12.98 78.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -145.28 171.16 14.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.33 143.95 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 16.6 t -109.04 156.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 86.4 t -143.74 105.09 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . 0.459 ' HB1' ' CD2' ' A' ' 449' ' ' LEU . . . -98.01 127.77 44.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 4.4 tt0 -124.23 163.98 20.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.51 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 25.1 t -90.05 115.08 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' A' ' 499' ' ' PHE . 25.7 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.403 ' C ' HG23 ' A' ' 508' ' ' THR . 14.7 t -107.88 18.74 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.0 106.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -95.04 139.66 31.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.18 140.91 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 20.6 mt -115.93 141.01 48.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -132.64 167.85 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.9 t30 41.2 39.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 14.0 ttt -92.86 -58.2 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.567 HG13 ' CZ ' ' A' ' 520' ' ' PHE . 4.9 m -142.99 144.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.26 159.99 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.38 11.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -87.25 -38.38 16.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 458' ' ' ILE . 19.8 t70 -65.92 -30.61 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 457' ' ' ASP . 29.8 mm -36.61 118.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -158.99 167.69 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.61 -33.83 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.6 tp -53.35 -55.84 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 462' ' ' LEU . 15.0 tt0 -34.86 -54.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.31 -44.64 95.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.33 -47.22 72.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.03 -40.5 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.5 m -56.09 -42.83 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.0 -50.71 46.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -46.95 -48.29 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 59.0 m -65.99 -28.9 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.15 -29.91 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 23.2 m-85 -48.45 -62.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -162.89 -162.96 14.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.439 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -76.92 111.8 12.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.64 121.86 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -89.74 -59.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -137.54 151.31 48.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.86 113.71 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 481' ' ' ILE . 22.0 mt -128.53 141.69 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.433 ' N ' HG23 ' A' ' 480' ' ' ILE . 79.4 mt -121.27 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -94.53 152.1 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -143.22 139.93 30.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 3.9 tp10 -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 484' ' ' GLU . 21.5 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 18.2 mm -93.99 98.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.513 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.8 pp -82.65 166.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 98.3 t -129.94 125.43 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -105.37 112.28 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 77.5 mt -97.97 116.28 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -96.78 118.27 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 75.1 t -122.21 103.26 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -94.57 144.83 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -115.77 166.78 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 33.4 p -56.52 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.5 pt -121.22 164.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.67 -46.78 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 11.0 t -44.18 -54.53 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -43.39 70.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 445' ' ' THR . 96.4 m -56.1 -54.98 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -51.11 -46.47 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -54.17 -58.24 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.81 -42.07 25.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.06 -51.39 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -55.49 -27.29 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.73 -49.25 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 11.0 mt -91.77 22.95 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 1.5 t-20 -86.43 -1.66 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -169.25 24.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -65.83 158.58 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -105.66 120.85 42.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.567 ' CZ ' HG13 ' A' ' 453' ' ' VAL . 28.2 t80 -91.73 158.26 16.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.425 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.72 89.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.27 11.3 85.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -143.93 171.35 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -116.57 135.36 53.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 85.3 t -99.12 150.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 19.7 t -140.01 117.84 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 528' ' ' GLU . . . -100.96 160.43 14.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 527' ' ' ALA . 30.4 mt-10 -164.49 171.54 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 8.0 p -106.81 116.73 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 29.0 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.97 0.414 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.4 t -111.37 13.14 21.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 42.1 t -110.95 129.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 33.4 ttp -121.08 139.26 53.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 528' ' ' GLU . 7.8 p -114.17 128.91 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.07 135.47 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 451' ' ' ASN . 76.2 mtp180 -130.16 175.82 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 450' ' ' ARG . 1.2 t30 37.38 43.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 5.0 ttt -99.78 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.552 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.6 m -140.4 133.34 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.29 159.31 4.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -1.9 9.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -89.93 -35.03 15.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.33 11.59 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.41 108.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -133.55 153.36 51.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 460' ' ' ASP . 0.0 OUTLIER -46.45 -31.89 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -43.74 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 18.4 tp -43.4 -61.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -39.18 -52.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.75 89.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -51.35 -47.66 62.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.17 -45.34 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 74.6 m -55.75 -44.57 77.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.93 -51.46 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -56.19 -31.42 63.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 0.506 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 93.7 m -76.88 -27.96 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -54.18 -35.15 54.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.43 -47.07 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.512 ' CG ' ' HB3' ' A' ' 511' ' ' ALA . 24.6 m-85 -58.23 -54.58 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -169.18 -134.51 1.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -105.08 111.39 24.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.39 125.87 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.83 -52.75 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -157.14 171.22 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.0 t -146.0 141.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 481' ' ' ILE . 14.6 mt -121.97 138.67 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.437 ' N ' HG21 ' A' ' 480' ' ' ILE . 90.4 mt -113.64 92.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -93.15 122.58 35.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.39 106.89 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 5.2 tp10 -153.91 158.67 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 484' ' ' GLU . 17.7 ttmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 3.5 tp10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 493' ' ' GLU . 22.2 mm -88.5 125.31 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.501 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.1 pp -101.36 174.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . 0.456 ' N ' HD12 ' A' ' 495' ' ' ILE . 96.5 t -148.65 116.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -110.03 114.11 27.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.6 mt -97.07 112.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -96.79 130.73 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.452 HG13 ' CE1' ' A' ' 502' ' ' PHE . 97.4 t -124.47 108.22 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -95.47 134.66 38.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . 0.452 ' CE1' HG13 ' A' ' 500' ' ' VAL . 95.0 m-85 -111.85 -178.7 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 21.2 t -73.42 -49.52 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . 0.41 ' CG1' ' HG2' ' A' ' 507' ' ' GLU . 23.3 pt -113.96 172.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -78.49 -42.5 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.41 ' HG2' ' CG1' ' A' ' 504' ' ' ILE . 3.3 mm-40 -44.05 -49.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 23.7 m -56.19 -53.18 60.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -47.12 -43.24 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -61.62 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.512 ' HB3' ' CG ' ' A' ' 473' ' ' PHE . . . -43.3 -35.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.9 mt -75.39 -54.59 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -45.61 -28.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -93.62 -61.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.61 -10.41 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 512' ' ' ILE . 25.7 t30 -72.93 -0.01 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.78 25.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -70.03 153.03 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -102.91 115.04 29.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.552 ' CZ ' HG12 ' A' ' 453' ' ' VAL . 15.8 t80 -85.38 157.86 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.91 85.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.06 21.82 64.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -155.36 171.12 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -111.86 141.62 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 93.5 t -107.77 155.1 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 63.6 t -143.18 125.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -117.42 125.26 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 21.3 tt0 -110.07 167.09 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.515 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 12.0 p -102.74 112.02 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.0 t -120.7 11.69 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 95.0 t -111.26 106.94 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.403 ' HG2' ' N ' ' A' ' 448' ' ' VAL . 36.1 ttp -101.04 154.12 18.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.403 ' N ' ' HG2' ' A' ' 447' ' ' MET . 4.2 p -125.85 135.0 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 25.1 mt -110.65 136.89 49.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -129.36 146.89 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 64.24 45.39 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 13.2 ttt -88.39 -53.22 4.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.615 ' CG1' ' CZ ' ' A' ' 520' ' ' PHE . 2.4 m -155.0 147.45 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . 0.456 ' CG ' ' HD2' ' A' ' 455' ' ' PRO . 2.0 t70 -42.07 143.19 1.04 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 454' ' ' ASP . 53.4 Cg_endo -69.75 5.35 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -105.86 -20.65 13.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.76 -11.28 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.5 mm -53.01 117.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -140.83 161.95 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -41.86 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.65 -36.23 73.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.0 tp -47.82 -58.64 4.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 462' ' ' LEU . 20.4 tt0 -37.42 -51.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.44 -46.42 94.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.45 -40.73 68.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.41 -43.46 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 99.4 m -54.63 -43.11 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.98 -40.38 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.43 -33.95 73.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 68.6 m -87.3 -28.16 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.51 -39.64 5.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.07 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -38.8 -53.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -172.94 -170.65 36.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.36 114.4 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 67.6 t -80.59 126.11 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -48.91 17.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -172.46 173.69 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.8 t -146.24 124.82 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 44.0 mt -113.36 122.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.48 110.86 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -119.59 134.78 55.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -143.57 130.75 20.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -160.46 136.71 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 4.2 tp10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.32 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 493' ' ' GLU . 24.7 mm -95.56 128.18 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.473 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.5 pp -94.86 166.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 91.5 t -140.24 113.47 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -109.86 116.93 32.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 69.1 mt -103.77 127.3 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.64 126.28 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.55 ' CG1' ' CE1' ' A' ' 502' ' ' PHE . 45.8 t -121.82 101.7 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -96.09 129.32 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . 0.55 ' CE1' ' CG1' ' A' ' 500' ' ' VAL . 48.2 m-85 -109.62 -177.68 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -41.28 29.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 21.8 pt -128.26 159.98 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.5 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.4 t -47.28 -64.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -44.29 -46.18 9.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 19.5 m -61.72 -51.55 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -45.69 -47.88 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.75 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -39.98 -36.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.33 -57.01 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -42.39 -29.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.43 -58.56 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 518' ' ' ARG . 14.6 mt -57.7 -11.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -60.35 -11.32 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -156.88 16.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . 0.42 ' CG ' ' HA ' ' A' ' 515' ' ' LEU . 14.0 mmt180 -55.69 153.31 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -108.28 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.615 ' CZ ' ' CG1' ' A' ' 453' ' ' VAL . 42.3 t80 -87.7 158.13 18.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.06 84.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 81.01 20.38 65.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -151.51 166.82 29.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -106.4 146.43 30.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 43.1 t -115.3 142.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 42.9 t -135.77 118.28 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . 0.42 ' C ' ' HG2' ' A' ' 528' ' ' GLU . . . -105.7 140.48 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 527' ' ' ALA . 5.4 mm-40 -145.45 158.73 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 39.2 t -84.78 125.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 33.8 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.5 t -98.55 13.07 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.92 115.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -105.54 151.77 23.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.6 133.64 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 43.7 mt -103.43 140.37 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -130.93 158.11 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.1 t30 51.07 31.2 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.3 ttt -76.2 -69.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.566 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.2 m -142.03 131.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -51.04 158.55 1.18 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.36 3.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -87.68 -32.18 19.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.82 17.36 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 20.4 mm -70.25 114.49 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.415 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 58.7 m-20 -143.34 158.92 43.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -34.71 68.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.415 ' OD1' ' CB ' ' A' ' 459' ' ' ASP . 5.8 p-10 -63.26 -41.66 99.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 463' ' ' GLU . 32.1 tp -39.44 -59.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' LEU . 27.1 tt0 -36.26 -48.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.52 95.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 462' ' ' LEU . 27.7 mt-10 -57.68 -37.54 73.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.33 -39.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 80.9 m -64.56 -49.54 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.41 -48.69 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.74 -44.1 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 74.0 m -72.04 -31.55 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -50.67 -42.43 44.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -43.85 -56.53 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 28.1 m-85 -50.79 -55.52 16.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -165.6 -160.91 13.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.18 112.82 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.32 139.33 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.63 -51.98 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -147.13 151.69 37.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.93 116.32 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.1 mt -134.76 139.67 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 50.7 mt -122.0 108.24 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -110.55 149.52 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -144.62 147.06 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -161.73 164.78 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.7 mm -115.91 106.74 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.448 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.3 pp -85.02 176.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 92.5 t -146.69 112.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -95.96 117.02 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.83 117.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -94.49 139.12 31.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 70.4 t -142.34 106.14 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -95.69 138.38 33.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.84 165.76 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 60.4 p -56.77 -43.66 81.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.4 pt -126.62 171.44 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.99 -41.78 63.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 9.9 t -47.78 -66.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -42.59 -42.98 3.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 8.9 m -57.31 -68.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -39.74 -39.88 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -61.44 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.54 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -45.39 -41.9 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.76 -62.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -45.58 -29.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.97 -49.71 9.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.13 28.89 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.77 -4.33 57.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.99 23.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -65.79 157.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -106.26 119.91 40.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 453' ' ' VAL . 33.4 t80 -89.55 157.96 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.93 83.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.69 15.98 66.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -149.56 171.19 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -118.26 135.26 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 90.9 t -100.73 148.81 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 22.2 t -141.02 108.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.28 147.35 23.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -162.81 177.26 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 64.8 t -94.72 132.13 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.4 t -92.68 16.14 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 69.0 t -103.79 112.6 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.462 ' HB2' ' CG2' ' A' ' 508' ' ' THR . 38.4 ttp -99.34 159.88 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 528' ' ' GLU . 2.5 p -137.62 129.74 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 45.1 mt -108.55 127.69 54.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -132.0 146.11 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 524' ' ' LYS . 48.1 t30 74.0 24.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 6.1 ttt -89.27 -59.44 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 11.0 m -139.46 157.31 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -82.99 161.39 58.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . 0.412 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.3 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -90.9 -38.73 12.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.7 -20.23 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . 0.412 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 44.5 mm -48.16 124.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -163.96 166.97 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.9 -23.33 18.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.78 -43.45 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 25.1 tp -58.74 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -37.72 -49.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.48 -46.92 65.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.79 -46.44 67.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.31 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 31.2 m -52.91 -50.39 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -68.0 -51.83 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.39 -40.01 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 0.402 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 80.5 m -74.87 -37.58 62.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.52 -26.72 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -60.29 -54.53 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.513 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 38.5 m-85 -49.68 -43.98 47.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -179.34 -137.7 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -97.6 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.3 t -78.66 117.53 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -75.92 -52.97 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -164.02 158.69 19.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 77.7 t -126.03 147.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 70.2 mt -144.23 137.3 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 47.7 mt -117.33 106.52 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.62 139.45 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.31 123.62 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 11.3 tp10 -134.51 153.14 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 484' ' ' GLU . 26.8 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.318 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.32 139.08 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.498 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.0 pp -106.32 176.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 93.0 t -152.33 106.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -101.74 110.08 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.37 109.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -88.22 128.96 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.44 HG12 ' CZ ' ' A' ' 502' ' ' PHE . 68.8 t -125.61 100.2 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . 0.44 ' CZ ' HG12 ' A' ' 500' ' ' VAL . 42.7 m-85 -105.0 -178.78 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.4 t -76.64 -39.54 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 12.1 pt -128.23 148.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.51 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 28.1 t -51.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -44.75 -44.12 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 447' ' ' MET . 38.5 m -57.62 -58.55 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -44.66 -44.1 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.53 -61.54 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.513 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.07 -34.4 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 516' ' ' ASN . 93.2 mt -70.55 -57.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.9 -27.27 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.78 -53.53 5.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 527' ' ' ALA . 16.5 mt -91.13 24.23 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 2.4 t-20 -85.04 0.13 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -178.75 39.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 518' ' ' ARG . 3.2 mmp_? -77.92 166.65 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -110.07 103.4 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.452 ' HB2' ' CG2' ' A' ' 525' ' ' VAL . 32.0 t80 -79.08 157.98 27.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.89 96.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.064 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 66.11 29.74 75.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.527 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 27.9 mtp180 -162.01 164.67 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . 0.463 ' O ' ' ND2' ' A' ' 451' ' ' ASN . 11.7 tptm -102.85 143.66 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 21.9 t -102.05 144.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . 0.438 ' N ' HG12 ' A' ' 525' ' ' VAL . 61.9 t -134.8 119.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 515' ' ' LEU . . . -124.86 138.12 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 448' ' ' VAL . 2.5 pm0 -158.54 160.01 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.75 119.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 65.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -103.2 13.73 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 59.1 t -108.07 116.69 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 31.2 ttp -106.17 139.84 40.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.45 ' CG1' ' HG3' ' A' ' 528' ' ' GLU . 11.6 p -109.02 134.1 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.96 138.05 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -132.95 173.49 11.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 30.4 t30 37.36 45.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 21.5 ttt -102.46 -64.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.95 127.8 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -50.55 159.8 0.84 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.74 12.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -86.72 -31.17 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.78 13.57 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 44.5 mm -75.34 101.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -139.1 164.43 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.7 -38.49 78.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.29 -41.72 93.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 28.5 tp -52.37 -51.89 56.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -39.01 -52.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.09 -44.15 96.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.03 -51.16 44.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.0 -40.98 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 93.5 m -58.22 -45.18 88.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.34 -30.52 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.42 -48.5 69.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLY . 71.0 m -64.81 -34.69 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -36.26 -41.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.92 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.406 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 17.7 m-85 -44.89 -55.14 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . 0.415 ' HA3' ' CD ' ' A' ' 507' ' ' GLU . . . -169.7 -169.91 33.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.95 114.8 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.99 125.67 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -90.29 -60.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -142.33 150.17 40.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.96 112.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 19.0 mt -127.31 130.3 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 45.8 mt -106.33 103.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -104.33 150.34 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -145.56 162.27 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -167.87 162.81 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . 0.42 ' HG3' ' CD1' ' A' ' 494' ' ' ILE . 9.8 ttpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 32.2 mm -112.47 101.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.484 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.9 pp -94.69 155.71 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 54.7 t -123.91 140.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -116.22 106.23 13.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 50.5 mt -90.72 123.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -96.51 123.17 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.511 HG11 ' CE1' ' A' ' 502' ' ' PHE . 55.2 t -122.63 101.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -98.87 132.95 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . 0.511 ' CE1' HG11 ' A' ' 500' ' ' VAL . 56.3 m-85 -108.76 165.97 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.4 m -62.76 -24.55 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 17.6 pt -144.21 149.98 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.04 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 26.2 m -45.54 -62.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.415 ' CD ' ' HA3' ' A' ' 474' ' ' GLY . 96.3 mt-10 -48.65 -36.1 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 15.0 m -66.22 -58.08 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -45.1 -46.17 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.67 -66.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.406 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -39.9 -30.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 514' ' ' ALA . 81.3 mt -80.93 -60.39 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -43.31 -23.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 512' ' ' ILE . . . -99.74 -57.97 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.51 -7.97 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -62.26 -9.99 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.91 40.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -73.18 162.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -113.2 114.07 26.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' A' ' 522' ' ' GLY . 36.5 t80 -86.62 158.32 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.23 84.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.84 14.2 75.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -147.4 171.46 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -113.49 141.57 46.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 76.2 t -110.01 151.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 83.7 t -134.82 119.84 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -115.68 144.76 43.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.45 ' HG3' ' CG1' ' A' ' 448' ' ' VAL . 7.7 pt-20 -159.08 161.83 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.85 151.57 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.9 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.4 t -88.89 9.26 25.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 13.0 t -108.97 107.48 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.434 ' CG ' ' N ' ' A' ' 448' ' ' VAL . 26.0 ttp -98.52 159.79 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 447' ' ' MET . 10.5 p -133.95 139.57 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 69.0 mt -115.51 127.66 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -120.29 134.38 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 17.7 t30 71.88 46.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 14.0 ttt -95.11 -61.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 25.4 m -135.18 137.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.6 158.09 61.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -17.27 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -96.76 13.17 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 43.0 mm -60.13 102.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -138.96 162.89 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -74.17 -37.23 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 33.7 tp -53.08 -52.97 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.5 -57.56 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -57.96 -41.61 94.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.55 -50.31 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.19 -41.11 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 70.9 m -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -70.77 -25.66 63.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.95 -55.35 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 99.2 m -55.45 -33.92 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -43.51 -37.28 3.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -47.0 -44.97 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.542 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 32.2 m-85 -66.43 -47.78 72.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -175.97 -154.26 11.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -81.42 109.41 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.48 132.38 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 6.5 t-20 -85.52 -58.82 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -163.61 165.6 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -137.16 141.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 46.9 mt -134.2 133.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 56.2 mt -106.07 105.75 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -108.4 130.31 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -144.4 140.44 29.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -162.39 157.02 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.78 0.324 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 16.1 mm -131.48 107.78 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.5 pp -87.85 163.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -139.46 105.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -95.67 116.43 28.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 499' ' ' PHE . 57.2 mt -99.54 142.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.411 ' N ' HG21 ' A' ' 498' ' ' ILE . 84.4 m-85 -115.39 132.6 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 54.7 t -134.3 100.57 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 12.0 tt0 -100.77 136.18 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -111.46 173.02 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 27.0 t -60.48 -52.99 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 22.2 pt -112.63 169.54 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.8 55.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -47.78 -60.76 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -47.66 -44.86 27.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 94.7 m -54.85 -60.6 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -45.67 -46.09 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -55.51 -63.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.542 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.27 -45.96 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.401 ' CG1' ' SD ' ' A' ' 447' ' ' MET . 95.7 mt -58.2 -61.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -45.93 -29.49 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -45.84 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.84 23.69 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -83.06 -3.75 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.49 22.56 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 518' ' ' ARG . 6.9 mmp_? -64.73 159.87 21.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' A' ' 524' ' ' LYS . 36.7 m95 -116.74 102.76 9.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 522' ' ' GLY . 20.9 t80 -80.13 160.25 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.82 89.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 68.01 28.45 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 522' ' ' GLY . 35.8 mmt180 -154.22 120.18 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . 0.41 ' HB2' ' CZ3' ' A' ' 519' ' ' TRP . 19.0 tttm -77.84 116.92 18.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 28.3 t -79.8 148.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 39.7 t -142.98 104.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.84 138.61 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -155.31 174.55 15.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.29 145.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.414 ' C ' HG23 ' A' ' 508' ' ' THR . 7.8 t -127.17 11.51 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 77.5 t -115.75 102.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 32.5 ttp -93.12 136.03 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 528' ' ' GLU . 12.5 p -109.36 115.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.45 138.16 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 451' ' ' ASN . 0.6 OUTLIER -120.82 167.71 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 450' ' ' ARG . 11.2 t-20 34.28 39.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 ttt -83.66 -66.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.22 128.21 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . 0.491 ' OD1' ' CZ ' ' A' ' 523' ' ' ARG . 1.4 m-20 -56.37 159.43 6.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.73 3.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.83 -20.82 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.31 11.63 23.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.0 mm -60.89 99.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -137.97 178.64 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.63 -40.02 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.89 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 463' ' ' GLU . 16.4 tp -47.46 -57.28 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.3 tt0 -38.03 -53.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.11 98.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.45 -50.24 65.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -40.04 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.2 m -59.63 -59.34 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.26 -45.09 88.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.77 -41.05 61.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 99.1 m -68.64 -35.76 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -38.11 -41.71 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -63.16 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 14.7 m-85 -48.86 -39.93 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 166.41 -175.13 41.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -55.83 120.64 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 59.2 t -88.01 122.98 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.5 -52.31 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.6 ptm85 -165.93 171.22 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.8 122.97 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 61.3 mt -115.84 129.98 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 64.2 mt -112.14 106.47 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.92 143.34 39.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -146.51 121.22 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -133.94 166.39 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 20.4 mm -122.14 103.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.455 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.1 pp -77.83 152.6 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 54.8 t -130.86 106.93 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -99.91 117.99 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 64.0 mt -110.04 113.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -90.91 140.12 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.58 ' CG1' ' CE1' ' A' ' 502' ' ' PHE . 61.1 t -129.34 111.32 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.411 ' HB3' ' CG ' ' A' ' 478' ' ' ARG . 9.0 tp10 -95.18 125.57 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . 0.58 ' CE1' ' CG1' ' A' ' 500' ' ' VAL . 83.9 m-85 -110.63 170.28 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 78.3 p -63.07 -47.42 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 16.0 pt -126.64 162.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.59 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 3.0 t -53.63 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -50.13 -45.84 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 445' ' ' THR . 12.1 m -58.95 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -42.03 -41.1 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.67 -56.96 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.62 -36.85 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.86 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -41.56 -30.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.98 -48.65 9.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . 0.469 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 17.4 mt -89.44 24.64 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -86.5 -0.89 57.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -174.93 37.07 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -79.12 159.28 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -103.4 111.05 23.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.44 ' HB2' ' CG2' ' A' ' 525' ' ' VAL . 29.9 t80 -82.19 158.15 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.46 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 74.11 22.62 77.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 454' ' ' ASP . 96.7 mtt180 -155.93 169.36 24.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -106.61 150.08 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 18.5 t -113.69 145.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . 0.437 ' CG1' ' OE1' ' A' ' 528' ' ' GLU . 18.3 t -142.07 111.0 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . 0.443 ' C ' ' OE1' ' A' ' 528' ' ' GLU . . . -101.71 129.22 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.446 ' HB2' ' CG1' ' A' ' 448' ' ' VAL . 3.1 mp0 -119.55 170.01 9.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.67 147.55 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.943 0.401 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.0 t -111.97 14.31 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 91.4 t -106.36 104.34 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.418 ' CG ' ' N ' ' A' ' 448' ' ' VAL . 44.2 ttp -93.06 159.91 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' A' ' 447' ' ' MET . 2.4 p -133.87 124.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 35.8 mt -100.23 129.15 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -126.39 165.08 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 24.5 t30 47.52 46.87 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 24.2 ttt -102.32 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.99 144.87 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . 0.457 ' CG ' ' HG2' ' A' ' 456' ' ' LYS . 40.9 p30 -59.67 153.17 53.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.92 15.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.457 ' HG2' ' CG ' ' A' ' 454' ' ' ASP . 1.0 OUTLIER -90.12 -16.28 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -96.17 8.95 42.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 13.6 mm -66.59 107.44 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.74 165.96 23.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -60.14 -29.78 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.3 -42.68 71.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 463' ' ' GLU . 46.1 tp -46.49 -63.14 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.7 tt0 -35.76 -48.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.88 93.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.34 -46.63 69.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.91 -41.18 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 62.9 m -59.45 -44.7 92.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -63.96 -60.88 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -49.56 -36.55 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 471' ' ' GLY . 99.2 m -72.72 -53.26 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -34.94 -37.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -48.17 -50.1 30.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 44.5 m-85 -57.52 -51.26 70.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.18 -160.08 18.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.1 109.96 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.52 118.71 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 503' ' ' SER . 3.4 m-20 -79.63 -46.98 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 478' ' ' ARG . 1.8 ptp180 -173.36 158.75 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 480' ' ' ILE . 63.2 t -132.45 139.81 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . 0.444 ' N ' HG11 ' A' ' 479' ' ' VAL . 68.0 mt -128.02 138.22 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . 0.443 ' N ' HG21 ' A' ' 480' ' ' ILE . 71.6 mt -112.67 100.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -116.64 133.58 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -137.95 131.66 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.9 152.8 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.815 0.341 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 32.6 mm -110.6 118.56 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.479 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.1 pp -91.78 177.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -138.6 121.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -107.18 109.59 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 66.4 mt -97.35 111.74 27.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -89.06 113.92 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.51 HG11 ' CE2' ' A' ' 502' ' ' PHE . 98.6 t -106.91 105.82 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -97.08 128.3 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . 0.51 ' CE2' HG11 ' A' ' 500' ' ' VAL . 64.9 m-85 -104.38 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.475 ' N ' ' OD1' ' A' ' 477' ' ' ASN . 2.0 m -87.18 -33.8 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . 0.464 HD13 ' CG ' ' A' ' 507' ' ' GLU . 0.2 OUTLIER -122.69 169.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.72 -34.34 22.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.8 m -59.33 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.464 ' CG ' HD13 ' A' ' 504' ' ' ILE . 0.8 OUTLIER -45.29 -39.91 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 3.5 m -63.97 -53.09 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -49.28 -38.8 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -64.76 -59.59 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.57 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.59 -33.61 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 47.7 mt -79.73 -54.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -46.61 -25.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.18 -58.54 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.14 -16.66 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -52.81 -17.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -159.88 45.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -82.82 158.63 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -108.09 107.08 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 522' ' ' GLY . 31.2 t80 -78.73 157.82 28.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.13 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.76 22.82 65.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -156.96 170.91 21.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -112.77 143.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 63.0 t -115.49 146.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 72.1 t -133.15 114.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.95 145.74 25.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -148.92 155.09 40.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 9.1 p -94.22 123.19 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.892 0.377 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.415 ' C ' HG21 ' A' ' 508' ' ' THR . 12.1 t -131.67 7.2 4.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 18.2 t -109.14 111.21 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.417 ' CE ' HD23 ' A' ' 449' ' ' LEU . 35.3 ttp -99.94 129.31 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 2.6 p -109.71 116.95 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.417 HD23 ' CE ' ' A' ' 447' ' ' MET . 20.6 mt -94.73 138.41 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -130.44 139.38 50.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 523' ' ' ARG . 1.5 t30 69.58 49.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 12.7 ttt -98.17 -62.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.84 134.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.29 158.45 19.46 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.75 10.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.649 2.233 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -86.91 -17.27 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.84 9.25 43.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 49.8 mm -61.29 106.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -137.37 172.14 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.23 -48.91 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.52 -31.54 64.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 463' ' ' GLU . 26.0 tp -51.15 -67.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 16.9 tt0 -34.83 -43.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -68.22 -46.31 65.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 462' ' ' LEU . 11.7 mm-40 -52.22 -49.46 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.82 -43.54 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 38.6 m -60.1 -47.59 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.02 -50.83 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.14 -38.11 56.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 68.1 m -69.39 -29.47 67.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.71 -28.8 60.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -55.27 -39.46 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 25.7 m-85 -71.95 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -159.82 -150.44 5.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -84.96 110.32 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 59.1 t -67.3 116.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 7.6 t-20 -75.86 -56.19 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 3.7 ptm85 -165.48 163.64 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 88.9 t -133.72 133.72 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 73.7 mt -118.98 125.93 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 91.1 mt -104.93 105.23 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -109.12 124.08 50.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -137.49 121.23 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -160.01 150.68 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 22.6 mm -92.11 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.447 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.1 pp -70.96 166.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 55.1 t -144.66 121.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -110.92 123.05 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.21 110.55 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -92.89 142.94 26.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . 0.537 HG12 ' CE1' ' A' ' 502' ' ' PHE . 74.9 t -138.74 107.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 27.2 tt0 -99.08 135.15 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . 0.537 ' CE1' HG12 ' A' ' 500' ' ' VAL . 27.8 m-85 -107.0 172.54 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 72.8 p -64.57 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.9 pt -128.71 154.51 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.36 77.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -42.45 -64.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -42.24 -48.83 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.415 HG21 ' C ' ' A' ' 445' ' ' THR . 7.3 m -57.24 -55.95 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -43.07 -44.52 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.7 -58.25 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.409 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.7 -45.23 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 516' ' ' ASN . 52.0 mt -60.15 -58.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -50.43 -24.7 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.88 -50.44 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 21.5 mt -97.2 22.07 9.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.8 t30 -84.74 -0.83 55.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.46 29.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -71.22 161.34 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -119.31 102.05 8.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 15.6 t80 -82.1 158.46 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.531 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -44.87 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 59.2 35.03 82.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 44.4 mtp180 -163.3 119.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -77.09 120.56 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 55.9 t -79.65 150.55 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.67 111.47 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.19 117.06 33.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.541 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 9.6 tt0 -109.47 165.7 11.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.541 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 9.8 p -102.34 125.56 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.1 t -104.99 19.73 20.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 62.1 t -118.52 97.83 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 447' ' ' MET . 8.7 tmm? -93.69 136.95 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 528' ' ' GLU . 7.1 p -116.55 132.17 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 93.9 mt -99.35 133.69 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -127.61 140.99 51.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 68.04 42.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 16.7 ttt -94.69 -60.93 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.528 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 11.1 m -141.77 127.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.68 158.63 0.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.53 4.35 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -86.75 -30.73 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.14 19.0 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 33.8 mm -73.38 107.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.12 -38.54 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.04 -42.62 98.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 36.0 tp -43.91 -54.98 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -41.74 -52.48 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.53 -47.4 91.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -48.5 -57.53 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.68 -42.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.8 m -57.97 -53.65 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.1 -48.26 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -58.16 -61.55 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' GLY . 92.0 m -40.68 -43.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -38.27 -38.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.88 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 18.6 m-85 -46.75 -46.0 20.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 179.36 -158.98 23.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -75.72 116.46 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.57 118.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -78.73 -55.84 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 478' ' ' ARG . 3.9 ptp180 -162.46 167.81 22.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 61.7 t -141.34 138.61 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 75.5 mt -137.78 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.3 mt -119.31 104.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -109.09 132.78 53.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -142.28 128.73 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -147.35 163.14 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 13.3 tttp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 51.0 mm -118.93 126.51 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.0 pp -101.36 156.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 74.4 t -131.49 109.77 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -92.93 123.63 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.22 112.73 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -95.07 131.47 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 96.7 t -134.01 112.35 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.99 141.09 37.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.67 171.09 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.2 m -58.29 -47.25 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 25.0 pt -123.56 162.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.56 -41.12 80.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 5.8 t -44.14 -63.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.34 -46.8 25.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 91.3 m -57.05 -60.98 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -41.52 -42.72 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.21 -46.57 88.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.563 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -56.3 -40.88 75.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 516' ' ' ASN . 89.6 mt -66.48 -58.46 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -45.91 -35.86 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -77.92 -52.19 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.2 25.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 516' ' ' ASN . 0.5 OUTLIER -86.5 -10.2 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -162.91 32.1 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -72.55 158.53 35.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -107.9 110.04 21.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.528 ' CZ ' HG12 ' A' ' 453' ' ' VAL . 30.4 t80 -81.44 158.14 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.29 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 79.0 22.49 65.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -153.09 166.34 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -109.29 132.54 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 54.8 t -103.19 136.66 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.21 120.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -100.2 120.92 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 32.5 tt0 -108.47 167.77 9.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.503 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 11.2 p -108.88 114.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.98 0.419 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.5 t -84.04 20.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 45.8 t -108.72 100.67 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.428 ' SD ' ' C ' ' A' ' 447' ' ' MET . 8.6 tmm? -96.39 133.61 40.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.5 p -120.08 137.85 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 16.9 mt -107.67 145.35 33.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -133.54 148.86 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.9 t30 56.43 35.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 8.1 ttt -93.46 -49.3 5.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.4 m -142.2 133.8 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.26 158.75 26.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.54 0.686 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -92.03 -38.55 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.3 mm -37.0 113.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.81 156.71 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.47 -27.68 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.36 -40.81 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 463' ' ' GLU . 18.2 tp -58.66 -57.54 12.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.5 tt0 -36.68 -57.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.63 94.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.62 -47.3 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.89 -44.44 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.5 m -56.96 -32.61 66.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -80.61 -36.93 32.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.69 -23.76 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 85.3 m -84.43 -2.54 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -77.81 -25.17 63.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 472' ' ' LYS . 3.0 mmtp -59.6 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 45.6 m-85 -47.92 -45.85 31.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.29 -129.26 1.48 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -101.11 112.18 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 477' ' ' ASN . 47.8 t -69.73 138.43 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' ASN . . . . . 0.416 ' N ' HG13 ' A' ' 476' ' ' VAL . 8.0 t-20 -102.39 -62.0 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -146.33 157.44 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.09 113.85 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 17.7 mt -130.05 125.18 59.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 78.3 mt -104.69 98.45 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -98.13 132.0 44.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.87 129.31 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -144.43 159.18 43.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . 0.432 ' HD3' ' CD1' ' A' ' 494' ' ' ILE . 11.5 ttpt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' ILE . . . . . 0.432 ' CD1' ' HD3' ' A' ' 485' ' ' LYS . 13.6 mm -97.42 115.62 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.434 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.1 pp -91.85 168.02 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 93.6 t -139.49 117.53 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -101.06 118.81 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.28 119.14 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.95 124.06 43.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.66 104.62 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -100.7 134.46 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -104.88 170.89 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 44.5 t -58.21 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 28.6 pt -119.71 155.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.82 82.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 43.0 t -48.67 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -44.52 -44.9 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.3 m -56.98 -61.66 2.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -42.34 -44.53 3.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -57.36 -55.03 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -49.58 -38.19 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.2 mt -68.83 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -44.43 -24.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.79 -45.15 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.54 31.45 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -89.83 -3.54 58.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.29 29.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -66.26 158.39 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -117.5 100.4 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 522' ' ' GLY . 18.6 t80 -76.9 159.43 30.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -47.62 89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 69.74 28.96 71.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -156.22 123.78 5.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -80.24 118.9 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 94.8 t -84.94 157.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 19.9 t -149.01 116.12 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -98.46 139.96 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -143.14 159.45 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 7.0 p -94.63 117.16 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 52.9 p -113.02 42.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 25.0 m 41.19 42.12 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 152.93 141.38 3.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 73.0 p -96.19 -44.93 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.0 t -123.58 150.52 43.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 138.19 173.95 13.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -138.33 155.78 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 438' ' ' LEU . 10.4 mp -107.68 174.82 5.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 23.5 mt -81.84 42.57 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -94.95 149.89 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -89.94 174.5 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -105.86 88.16 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.45 158.69 7.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.6 t -90.85 122.11 33.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 t -109.23 28.04 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.01 107.04 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 46.6 ttp -92.96 143.06 26.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 448' ' ' VAL . 9.3 p -118.97 111.8 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 19.9 mt -88.38 140.84 29.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 450' ' ' ARG . 7.3 mtp-105 -134.59 155.07 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 26.2 t30 62.16 26.26 15.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.463 ' SD ' ' CD1' ' A' ' 498' ' ' ILE . 11.1 ttt -73.32 -68.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.15 139.94 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.71 160.14 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.01 3.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -90.31 -39.87 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.11 -22.59 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 46.1 mm -47.57 108.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -138.34 165.93 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -56.27 -16.35 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -84.6 -42.88 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 463' ' ' GLU . 20.3 tp -43.56 -62.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 462' ' ' LEU . 18.7 tt0 -36.57 -57.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.05 -45.34 93.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.06 -33.5 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 21.2 m -66.42 -48.91 68.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -68.46 -30.11 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.45 -36.45 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 57.7 m -76.51 -30.18 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.91 -27.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.48 -55.38 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -52.31 -59.11 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -164.63 -159.2 10.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.28 109.95 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.34 117.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.12 -53.38 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -167.29 160.53 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 480' ' ' ILE . 84.4 t -130.23 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . 0.46 ' N ' HG11 ' A' ' 479' ' ' VAL . 20.4 mt -131.74 125.52 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 65.7 mt -105.8 113.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -120.8 125.87 48.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -136.99 149.52 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -167.51 174.84 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -88.93 137.36 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -119.88 23.89 10.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -141.7 139.95 9.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -64.78 -35.2 80.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -47.63 147.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.69 -41.27 94.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -112.81 33.42 5.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -51.73 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -82.53 155.76 24.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 11.5 mm -124.78 119.31 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.456 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.9 pp -92.47 168.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 75.3 t -136.94 120.56 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -107.1 109.66 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . 0.463 ' CD1' ' SD ' ' A' ' 452' ' ' MET . 59.5 mt -102.11 110.96 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.77 128.09 42.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 41.0 t -122.6 104.63 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.98 129.35 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -104.72 -176.93 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 35.1 t -82.2 -34.41 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 162.23 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.75 70.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.6 t -46.69 -58.11 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -50.91 -51.11 55.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 98.3 m -53.4 -45.97 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.53 -41.19 76.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -61.18 -57.83 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -51.43 -35.47 39.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 516' ' ' ASN . 97.2 mt -73.51 -52.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.74 -24.73 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -94.73 -63.53 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.6 -9.83 4.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 1.0 OUTLIER -59.57 -10.7 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.13 36.15 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -76.6 162.01 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -106.45 117.13 33.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 522' ' ' GLY . 34.8 t80 -87.37 157.85 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.4 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.89 84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.31 21.09 65.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -154.61 171.18 19.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -108.45 140.29 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 43.1 t -108.58 145.24 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.79 111.37 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.5 116.06 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -111.77 165.07 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 1.9 p -94.46 128.41 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -86.89 176.31 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.06 114.34 28.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 533' ' ' GLU . 0.0 OUTLIER -63.98 -46.26 85.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 532' ' ' GLN . 4.4 pt-20 -39.22 -60.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -66.66 -33.68 76.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -58.1 -17.56 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -52.65 -40.88 63.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -107.22 -176.65 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 3.9 m -98.63 44.53 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.57 90.28 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.94 -59.64 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 34.6 t -43.4 -49.94 6.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -114.51 179.13 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 60.6 p -116.44 118.46 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 59.97 150.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.4 m -66.65 127.3 31.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 39.0 p -40.68 -47.94 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 431' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 430' ' ' GLY . 32.6 p -36.25 -59.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 21.5 t -71.72 82.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 146.89 -100.85 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.7 m -59.16 159.99 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 1.4 t -153.44 131.5 11.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -73.82 101.86 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -125.8 141.14 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 64.4 mt -117.44 165.16 13.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.04 -53.95 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -59.55 145.2 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -113.1 119.84 39.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -91.44 153.23 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -39.75 138.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.5 m -106.74 113.9 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.405 ' C ' HG23 ' A' ' 508' ' ' THR . 1.3 t -116.27 7.42 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 535' ' ' PHE . 17.4 t -100.06 132.24 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 45.0 ttp -121.72 158.68 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.415 ' CG1' ' HB2' ' A' ' 528' ' ' GLU . 2.3 p -131.94 123.0 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 51.6 mt -101.8 134.81 44.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -133.74 153.78 51.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 21.8 t30 60.31 47.47 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 8.0 ttt -113.17 -58.16 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.54 119.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.79 160.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -0.85 7.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -90.75 -12.92 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -102.84 8.25 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.19 101.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.62 168.19 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.32 -42.41 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.79 96.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 37.6 tp -43.03 -54.99 4.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.01 -58.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -52.86 -45.21 61.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.84 -58.92 5.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 62.3 t -53.21 -37.17 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.3 m -60.79 -49.5 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.02 -14.02 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -79.86 -38.45 32.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 0.439 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 71.9 m -75.99 -31.63 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -40.27 -33.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -51.89 -46.15 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 36.1 m-85 -59.93 -59.27 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.66 -152.94 7.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.46 110.0 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 70.1 t -68.2 147.73 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 1.9 t-20 -108.23 -60.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -165.55 158.51 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.6 t -130.35 132.72 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 90.4 mt -124.64 126.9 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.98 104.97 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -109.99 123.49 49.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 483' ' ' GLN . 0.0 OUTLIER -131.35 127.24 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -163.52 145.11 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . 0.458 ' CA ' HD13 ' A' ' 494' ' ' ILE . 1.2 ttmp? -62.7 132.15 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -93.31 22.86 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -173.39 120.4 0.8 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.16 -22.97 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.83 128.8 38.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.94 -30.94 62.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.12 -20.66 65.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -66.97 135.51 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -96.69 142.02 29.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . 0.458 HD13 ' CA ' ' A' ' 485' ' ' LYS . 17.5 mm -67.42 128.62 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.468 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.7 pp -95.95 166.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 96.3 t -128.43 100.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -97.42 110.6 23.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -98.99 131.38 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.42 ' CE2' HD13 ' A' ' 540' ' ' LEU . 76.8 m-85 -111.17 126.51 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.37 112.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 51.1 tt0 -105.19 143.12 33.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 502' ' ' PHE . 4.0 m-85 -116.52 173.18 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.3 t -64.32 -48.99 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . 0.432 ' CG1' ' HG2' ' A' ' 507' ' ' GLU . 13.8 pt -113.82 172.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -81.81 -30.68 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 3.1 t -54.24 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.432 ' HG2' ' CG1' ' A' ' 504' ' ' ILE . 22.1 mm-40 -45.06 -48.56 11.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.405 HG23 ' C ' ' A' ' 445' ' ' THR . 43.8 m -54.29 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.83 -42.04 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.44 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.532 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -40.99 -36.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.41 -58.04 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -44.86 -24.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -96.15 -56.34 2.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 518' ' ' ARG . 9.4 mt -63.64 -9.23 12.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -60.2 -11.52 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 27.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.406 ' CG ' ' HA ' ' A' ' 515' ' ' LEU . 13.7 mmt180 -64.38 160.17 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -108.41 119.25 38.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 30.0 t80 -89.63 158.03 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.497 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.85 85.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.73 15.14 78.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -147.62 171.2 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -107.57 146.18 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.411 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 79.5 t -113.66 147.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.83 122.5 38.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -108.8 148.24 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.415 ' HB2' ' CG1' ' A' ' 448' ' ' VAL . 17.0 mt-10 -150.29 157.51 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 529' ' ' VAL . 3.9 p -94.31 119.45 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -76.18 168.52 19.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -87.11 96.66 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -62.11 -34.79 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -43.15 -44.89 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -89.45 -29.38 19.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.414 ' CD2' HG21 ' A' ' 446' ' ' VAL . 39.2 t80 -56.91 -28.68 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -40.1 -46.56 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -100.68 -176.01 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 63.7 m -93.95 41.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.67 -44.62 96.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' A' ' 499' ' ' PHE . 3.2 tt -50.69 -44.06 57.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.8 t -81.66 171.37 14.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -52.2 -54.18 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 5.8 t -73.78 89.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -109.78 -158.63 17.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 164.64 33.79 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 49.4 m -114.68 131.08 56.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 2.9 t -142.86 125.93 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 21.9 m -73.22 156.18 38.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 6.9 t -88.82 139.77 30.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 113.11 89.21 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.425 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 21.1 t -79.54 122.03 25.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.4 m -48.12 111.18 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -77.05 155.6 44.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -121.02 -26.81 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 8.9 tp -133.12 108.94 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.43 127.44 31.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.403 ' N ' ' HD2' ' A' ' 440' ' ' ARG . 0.1 OUTLIER -135.6 168.43 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 36.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -56.85 92.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . 0.422 ' HG3' ' CB ' ' A' ' 505' ' ' ALA . 1.1 pm0 -103.0 162.11 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 87.4 p -105.27 107.29 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.3 t -114.01 11.41 17.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 16.0 t -105.31 106.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 44.6 ttp -100.07 155.28 17.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.45 ' CG1' ' CG ' ' A' ' 528' ' ' GLU . 7.1 p -131.43 130.95 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 12.6 mt -103.57 140.77 37.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -139.69 140.78 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 28.6 t30 70.39 44.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 13.6 ttm -99.34 -53.17 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.32 142.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 160.75 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.703 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.281 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 457' ' ' ASP . 20.2 pttp -91.41 -36.59 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 456' ' ' LYS . 15.4 t0 -70.6 -28.62 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 457' ' ' ASP . 43.8 mm -36.52 123.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -150.9 152.6 33.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.97 -24.72 6.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 -33.63 44.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 32.8 tp -50.61 -58.39 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -39.16 -50.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.34 79.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -52.23 -50.74 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.53 -42.9 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 51.4 m -59.57 -45.21 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -72.4 -28.86 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.43 -35.44 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 471' ' ' GLY . 78.0 m -75.11 -36.97 61.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -37.67 -36.52 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -51.87 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 26.7 m-85 -57.83 -44.82 86.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.44 163.41 28.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -47.62 110.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.15 135.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -103.06 -55.84 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -145.99 151.54 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -142.86 116.1 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.36 132.58 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 79.7 mt -110.85 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -108.04 146.0 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.97 140.41 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -159.75 170.33 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -86.67 134.06 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -114.54 23.18 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -136.71 138.91 10.18 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.425 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.66 -38.4 75.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -44.87 141.38 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -59.11 -45.45 90.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -105.13 30.62 5.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -50.63 -177.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -81.97 150.73 27.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.01 113.6 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.464 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.2 pp -85.2 171.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 90.0 t -134.97 109.78 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -99.13 115.02 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 49.7 mt -106.73 128.61 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -105.06 125.1 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 81.7 t -130.8 101.74 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -102.72 141.88 34.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -113.02 179.76 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 22.4 t -68.58 -47.91 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.0 166.29 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . 0.422 ' CB ' ' HG3' ' A' ' 443' ' ' GLU . . . -72.64 -34.37 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -48.92 -62.34 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.95 -50.51 26.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -42.59 -44.06 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.72 -61.64 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -42.76 -37.89 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 516' ' ' ASN . 25.9 mt -73.55 -50.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -49.27 -29.46 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.1 -54.75 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . 0.425 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 16.1 mt -65.69 -8.85 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 512' ' ' ILE . 0.7 OUTLIER -64.21 -7.12 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.94 33.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -69.82 154.5 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -107.29 114.19 28.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 522' ' ' GLY . 24.1 t80 -84.08 157.77 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.482 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -53.24 83.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.95 18.7 60.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -152.77 171.12 18.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -117.11 143.43 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 526' ' ' VAL . 90.4 t -112.09 156.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' A' ' 525' ' ' VAL . 67.6 t -141.27 108.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.34 148.84 28.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.45 ' CG ' ' CG1' ' A' ' 448' ' ' VAL . 7.9 pt-20 -153.61 170.97 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 529' ' ' VAL . 10.6 p -94.78 111.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.455 ' CE2' ' CG ' ' A' ' 531' ' ' ASP . 42.8 t80 -88.66 167.27 13.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . 0.455 ' CG ' ' CE2' ' A' ' 530' ' ' TYR . 2.1 p30 -64.1 156.21 29.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -123.77 -46.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -49.25 -58.74 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -72.12 -42.69 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -45.12 -31.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -41.03 -38.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.17 108.9 5.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 69.1 m -82.29 44.87 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.456 ' O ' ' CA ' ' A' ' 544' ' ' GLY . 6.3 m-20 -118.15 51.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.0 33.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 40.7 p -104.38 -33.55 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -122.4 -71.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 74.0 m -101.55 -68.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 539' ' ' ASP . . . 68.66 -158.6 52.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -16.31 37.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.272 . . . . 0.0 112.33 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 6.5 t -60.42 127.3 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 3.4 t -123.6 -45.79 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 15.9 m -81.23 103.79 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 6.4 m 45.67 50.46 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 163.28 146.57 4.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 435' ' ' SER . 21.0 t -53.53 151.08 6.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 434' ' ' SER . 71.0 m -37.52 116.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 123.1 34.61 0.77 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.526 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 146.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.25 144.47 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 10.7 tp -69.28 88.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -132.57 172.31 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -124.19 34.93 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.85 91.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -74.94 150.48 39.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 11.7 m -129.6 115.64 17.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.9 t -95.25 21.57 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.544 HG21 ' CD2' ' A' ' 535' ' ' PHE . 93.4 t -113.25 112.23 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 56.1 ttp -100.94 155.87 17.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 13.3 p -133.46 118.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 62.2 mt -93.21 127.39 38.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -121.31 151.51 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 55.76 45.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.4 ttt -93.94 -59.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.413 HG11 ' CZ ' ' A' ' 520' ' ' PHE . 4.7 m -144.1 149.07 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.3 161.45 69.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -90.95 -38.1 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 458' ' ' ILE . 7.9 t0 -72.52 -32.82 66.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 457' ' ' ASP . 46.4 mm -34.03 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -136.77 161.6 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.0 -41.79 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 463' ' ' GLU . 32.5 tp -54.06 -58.62 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.2 tt0 -34.94 -53.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.76 98.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -50.39 -45.27 55.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.22 -35.85 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.7 m -61.39 -50.73 71.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.98 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -54.55 -37.18 65.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 34.9 m -73.22 -33.42 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -46.38 -41.83 12.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -43.91 -50.24 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 30.1 m-85 -58.75 -58.0 10.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.78 -174.35 36.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -62.87 109.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.364 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.93 136.4 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 5.0 t-20 -95.57 -54.84 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -165.47 157.82 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 97.2 t -133.16 137.84 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.86 138.78 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 52.4 mt -116.4 103.47 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -108.84 141.4 40.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -146.9 149.08 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -165.44 156.05 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -81.33 131.58 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -109.84 28.74 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -152.59 141.63 8.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.67 -36.16 83.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -45.25 133.83 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . 0.424 ' OE1' ' CG ' ' A' ' 491' ' ' ASP . 1.9 pp20? -52.88 -34.42 54.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . 0.424 ' CG ' ' OE1' ' A' ' 490' ' ' GLU . 61.3 m-20 -113.78 29.55 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -51.68 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.97 144.43 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.4 mm -109.53 130.34 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.485 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.5 pp -103.32 162.72 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 97.6 t -140.14 134.54 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -126.5 109.71 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 81.3 mt -95.98 113.58 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -90.83 111.04 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.92 103.77 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 33.5 tt0 -98.88 137.35 37.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -112.54 171.54 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.6 t -57.21 -51.66 68.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 16.2 pt -121.89 165.15 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.75 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.8 m -48.91 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -50.11 -42.0 49.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 10.8 m -59.71 -56.69 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -47.91 -41.99 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -58.62 -58.5 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.41 -46.04 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 516' ' ' ASN . 95.6 mt -59.96 -57.08 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -48.88 -30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -56.52 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 23.8 mt -87.66 24.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 2.5 t30 -85.46 -1.0 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -171.17 34.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -80.63 154.07 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -100.64 111.81 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.47 ' HB2' ' CG2' ' A' ' 525' ' ' VAL . 21.1 t80 -85.25 157.89 20.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.95 98.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 64.91 29.85 76.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -162.97 166.09 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -111.36 143.17 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 65.0 t -108.41 143.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 81.8 t -139.68 111.74 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.18 141.15 29.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -141.51 164.29 30.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 14.5 p -106.57 111.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -89.63 158.22 17.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.43 133.9 55.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -101.24 -43.62 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -39.99 -41.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -91.74 -26.88 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' A' ' 446' ' ' VAL . 45.9 t80 -52.01 -28.63 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -46.02 -48.38 16.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -68.03 119.59 12.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 2.7 m -83.18 45.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -118.31 80.72 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 45.7 mt -85.14 -48.02 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 37.3 m -87.79 -48.5 7.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.73 156.62 34.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.1 m -56.82 94.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -93.55 -157.8 33.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.87 3.13 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 16.9 t -93.86 -51.3 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 18.9 m -66.07 149.15 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 21.7 m 45.75 42.63 8.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.807 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 3.5 m -117.32 78.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 109.25 90.88 2.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 31.3 m -86.57 97.59 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 1.7 t 62.22 32.06 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 140.21 115.72 1.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 86.47 6.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -131.58 119.53 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.33 -51.91 66.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -100.54 87.08 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -111.22 124.88 53.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.67 91.84 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -110.87 168.54 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 89.0 p -121.92 65.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -93.72 13.55 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 63.3 t -110.96 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 35.8 ttp -98.07 152.32 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 9.5 p -128.24 128.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 57.1 mt -105.97 132.35 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 450' ' ' ARG . 11.8 mtp-105 -127.75 140.12 52.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.6 t30 73.99 36.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.1 ttt -91.15 -56.7 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 23.1 m -147.5 121.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.62 161.04 0.42 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . 0.406 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.5 Cg_endo -69.73 1.84 4.06 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -89.34 -29.6 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -92.4 16.47 11.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.406 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 21.0 mm -72.19 100.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.36 168.56 14.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.83 -39.97 91.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.07 -43.25 99.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 463' ' ' GLU . 26.9 tp -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 462' ' ' LEU . 14.1 tm-20 -34.88 -58.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -54.83 -45.81 78.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.45 -45.67 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.23 -44.36 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.8 m -57.31 -52.85 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 471' ' ' GLY . 13.1 mm-40 -58.07 -65.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -40.1 -46.8 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 86.1 m -58.93 -37.82 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 468' ' ' GLU . . . -40.01 -46.02 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -38.94 -55.0 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.854 0.359 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.487 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 55.9 m-85 -51.84 -55.83 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -173.1 -136.37 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -98.91 110.78 23.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.93 129.73 36.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -85.44 -49.99 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.4 ptm85 -168.39 168.04 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.827 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 69.8 t -142.22 145.44 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 481' ' ' ILE . 73.8 mt -140.95 135.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.451 ' N ' HG23 ' A' ' 480' ' ' ILE . 56.7 mt -110.64 107.87 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.74 139.33 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -144.61 161.12 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 485' ' ' LYS . 11.1 tt0 -168.23 152.72 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 494' ' ' ILE . 10.7 tttp -76.27 132.76 40.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -104.93 28.97 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -166.7 135.51 3.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.32 -39.64 76.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.73 145.12 20.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -72.45 -12.92 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.34 10.95 25.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -60.69 169.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -75.51 148.58 38.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 24.4 mm -121.82 108.95 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.52 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.6 pp -82.11 170.97 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 70.9 t -144.04 123.93 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -110.14 109.69 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.02 117.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.96 124.68 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 43.6 t -130.27 100.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -98.64 136.69 38.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -105.6 -177.9 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.4 m -74.7 -39.11 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.6 pt -126.12 168.52 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.37 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 12.1 t -43.62 -66.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -42.36 -44.38 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -61.67 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -40.51 -39.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -64.32 -58.65 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.487 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -47.3 -35.32 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 75.1 mt -75.82 -45.3 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -51.14 -35.96 38.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.93 -59.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.97 -21.16 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.407 ' ND2' ' C ' ' A' ' 516' ' ' ASN . 0.5 OUTLIER -47.61 -19.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -158.59 33.38 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.95 159.65 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -110.24 113.16 25.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 522' ' ' GLY . 23.9 t80 -84.45 158.13 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.6 85.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.32 17.0 70.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.43 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -150.51 171.15 17.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -114.99 140.01 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 75.9 t -108.88 149.43 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.24 108.95 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.02 133.62 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -140.15 174.76 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.39 112.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -76.71 172.1 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . 0.42 ' HB3' ' CG ' ' A' ' 534' ' ' ARG . 42.7 t0 -85.58 105.64 16.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 533' ' ' GLU . 39.2 tt0 -62.88 -50.84 69.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . 0.505 ' CD ' ' N ' ' A' ' 534' ' ' ARG . 2.9 tm-20 -34.59 -72.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 533' ' ' GLU . 9.7 ptp180 -53.06 -35.49 59.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -60.49 -20.73 61.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -43.35 -36.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -108.52 121.94 46.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 4.4 m -64.0 -15.08 58.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -82.68 55.19 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -93.48 30.57 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.5 t -121.96 -64.45 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.12 -69.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 4.2 t -103.7 -66.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 54.25 -157.17 6.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.39 30.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.374 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 6.1 t -103.79 132.58 49.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.1 t -66.92 113.43 4.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 53.2 p -112.81 94.93 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 6.3 m -91.78 118.41 30.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 162.19 123.02 0.64 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 63.2 m -142.9 164.77 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 73.2 p -113.11 41.66 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -167.14 73.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -67.16 -51.67 50.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 50.3 mt -89.69 116.72 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.28 80.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -127.55 135.75 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -49.93 149.49 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -134.87 123.86 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.22 173.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 90.0 p -123.85 115.31 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.0 t -116.16 8.63 14.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.557 HG21 ' CE2' ' A' ' 535' ' ' PHE . 30.3 t -105.0 127.05 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.462 ' HG2' ' N ' ' A' ' 448' ' ' VAL . 39.0 ttp -121.33 161.55 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.462 ' N ' ' HG2' ' A' ' 447' ' ' MET . 1.5 p -132.75 124.29 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 22.7 mt -105.36 126.12 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -124.48 151.2 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.5 t30 66.56 31.19 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 3.5 ttt -83.04 -59.32 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 23.4 m -147.19 147.96 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.38 160.11 44.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -1.33 8.23 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -93.47 -6.51 46.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.63 4.07 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.01 112.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -148.11 149.45 32.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -30.53 2.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.5 -43.69 63.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 34.2 tp -48.52 -51.2 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -41.58 -55.52 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.31 -42.32 99.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -51.11 -51.83 49.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.98 -44.26 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 28.4 m -57.15 -41.75 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -64.49 -50.57 66.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.38 -48.2 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 97.2 m -59.34 -33.72 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.08 -33.59 3.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -48.5 66.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 511' ' ' ALA . 38.4 m-85 -60.26 -54.01 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -170.4 -141.92 3.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -93.18 116.43 29.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.88 120.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.69 -56.94 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -163.41 158.13 20.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.49 144.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 481' ' ' ILE . 60.7 mt -139.0 141.37 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.405 ' N ' HG22 ' A' ' 480' ' ' ILE . 83.6 mt -118.0 105.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.53 129.58 56.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -138.2 152.62 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -172.26 160.26 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -75.46 135.56 40.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -115.62 23.78 12.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -152.62 145.54 13.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.89 -28.5 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -48.16 136.94 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -56.34 -31.36 63.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -119.14 34.24 5.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -56.82 170.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -76.41 147.65 37.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 47.2 mm -113.78 111.59 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.476 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.8 pp -80.23 163.45 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 72.7 t -140.4 115.36 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -103.85 114.47 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.08 109.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -88.46 124.49 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.4 108.86 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -106.56 137.3 44.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -107.34 171.37 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 42.7 t -59.8 -48.73 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 7.3 pt -115.82 173.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -78.54 -44.66 23.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 8.4 t -45.72 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -44.24 -53.35 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 4.0 m -53.37 -58.86 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -42.68 -40.44 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.37 -54.21 32.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.566 ' HB2' ' CD2' ' A' ' 473' ' ' PHE . . . -49.69 -40.46 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.5 mt -68.09 -52.59 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -47.18 -36.76 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.61 -55.38 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.36 -1.28 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 512' ' ' ILE . 1.4 t-20 -68.81 -10.28 55.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 17.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -56.96 158.47 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -113.91 109.48 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 34.1 t80 -79.24 158.2 27.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.431 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.95 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 75.4 13.65 82.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -147.71 170.61 17.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -112.11 148.07 34.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 151.27 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 20.6 t -141.32 118.47 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.93 129.13 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -135.61 170.44 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.94 107.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 531' ' ' ASP . 66.5 t80 -67.65 169.37 9.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 530' ' ' TYR . 17.7 m-20 -78.69 119.95 22.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -79.93 -43.45 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -39.57 -55.86 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -72.92 -36.24 67.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.557 ' CE2' HG21 ' A' ' 446' ' ' VAL . 9.6 t80 -47.84 -33.03 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -41.53 -40.61 1.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.85 -179.0 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 18.7 t -84.08 38.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 540' ' ' LEU . 5.2 t0 -42.72 -28.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 539' ' ' ASP . 14.7 mt -36.92 -69.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.7 p -109.85 14.82 23.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -117.52 170.01 9.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.6 t -79.59 -43.42 22.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 165.2 -158.13 30.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 89.0 p -76.81 167.47 21.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 73.2 m -66.59 113.82 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 39.2 m -106.49 150.13 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 63.2 p -137.37 162.96 32.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 80.32 -152.35 34.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 59.9 p -70.91 148.02 48.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 4.3 m -46.4 123.4 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 170.06 141.97 3.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -129.37 -62.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.325 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.57 -61.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 5.0 tp -91.22 133.05 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -133.72 44.43 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -89.36 87.85 7.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -73.02 115.75 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.07 144.19 26.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 21.1 m -118.58 94.84 4.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 t -97.54 26.99 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.82 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 53.3 ttp -96.48 153.24 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.448 ' CG1' ' HG3' ' A' ' 528' ' ' GLU . 9.9 p -137.14 137.68 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 527' ' ' ALA . 85.0 mt -114.05 135.74 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . 0.488 ' CZ ' ' OE2' ' A' ' 528' ' ' GLU . 44.1 mtm180 -128.61 143.71 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 29.62 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 5.1 ttp -86.36 -64.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 14.4 m -139.75 132.15 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . 0.43 ' OD2' ' NH2' ' A' ' 523' ' ' ARG . 2.2 m-20 -62.02 159.67 35.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.618 0.723 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.63 4.22 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -87.85 -19.39 27.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -100.73 13.42 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.16 102.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -130.9 168.22 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.04 -31.67 62.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.13 -39.25 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 28.5 tp -49.14 -55.23 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -40.78 -54.24 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.28 -46.87 93.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -53.23 -53.92 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.06 -36.67 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 23.4 m -63.87 -46.88 82.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.23 -23.87 63.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.62 -46.89 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 471' ' ' GLY . 99.6 m -63.83 -45.48 89.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -34.75 -39.24 0.15 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -45.65 -50.22 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 24.2 m-85 -62.42 -45.08 94.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -177.51 -178.77 47.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 84.5 t -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -83.66 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 478' ' ' ARG . 1.4 ptp180 -153.52 164.94 37.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 47.4 t -143.64 126.95 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.07 136.35 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.2 mt -113.9 96.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 540' ' ' LEU . 13.2 t80 -101.69 153.37 19.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.02 136.04 24.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.81 163.18 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -91.22 129.86 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -88.58 26.32 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 175.73 109.39 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -39.3 -33.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -54.72 143.91 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -70.32 -22.54 62.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -80.28 -16.25 55.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -58.67 132.26 53.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.71 142.28 49.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 6.6 mm -96.19 137.6 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.441 HD13 ' C ' ' A' ' 495' ' ' ILE . 2.9 pp -123.27 167.55 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 86.3 t -128.89 123.7 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -98.71 116.03 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.61 122.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.83 134.69 47.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.443 HG11 ' CE1' ' A' ' 502' ' ' PHE . 98.4 t -137.14 108.35 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -104.65 140.5 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . 0.443 ' CE1' HG11 ' A' ' 500' ' ' VAL . 7.8 m-85 -114.8 179.81 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 92.9 p -68.44 -41.54 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . 0.456 ' CD1' ' HG2' ' A' ' 507' ' ' GLU . 6.7 pt -121.64 173.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.96 -34.37 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.2 t -49.13 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.456 ' HG2' ' CD1' ' A' ' 504' ' ' ILE . 5.2 mm-40 -46.21 -45.46 16.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 81.9 m -55.25 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -44.28 -45.27 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -59.51 -54.44 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.552 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.69 -46.36 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 516' ' ' ASN . 66.9 mt -63.77 -54.1 36.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -49.88 -27.33 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -86.92 -52.42 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . 0.417 ' CD2' ' HG3' ' A' ' 518' ' ' ARG . 43.1 mt -89.17 19.94 4.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.6 t30 -79.11 -5.9 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -164.78 23.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.417 ' HG3' ' CD2' ' A' ' 515' ' ' LEU . 9.4 mmt180 -64.53 159.89 20.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -108.63 120.76 43.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 28.1 t80 -92.19 158.46 16.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.536 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.95 86.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.44 13.38 81.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . 0.43 ' NH2' ' OD2' ' A' ' 454' ' ' ASP . 66.0 mtt180 -145.84 171.4 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -117.39 140.03 50.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 90.3 t -105.47 143.59 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . 0.403 HG12 ' NH2' ' A' ' 450' ' ' ARG . 90.5 t -137.27 107.36 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . 0.423 ' HB3' ' CD2' ' A' ' 449' ' ' LEU . . . -96.61 144.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.488 ' OE2' ' CZ ' ' A' ' 450' ' ' ARG . 5.1 pt-20 -159.29 170.72 21.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.37 120.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -72.82 168.96 17.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -81.75 107.96 14.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 532' ' ' GLN . 0.0 OUTLIER -64.33 -45.31 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -41.11 -58.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -70.44 -29.88 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -78.93 44.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.66 -43.58 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -97.66 129.72 44.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 90.0 p -79.8 48.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -129.63 81.76 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.461 ' HB3' ' CD1' ' A' ' 482' ' ' TYR . 4.4 mm? -63.93 -50.0 70.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 8.3 t -54.26 -50.4 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -89.83 118.98 29.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 80.6 p -39.54 -49.67 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 154.03 174.13 23.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -7.08 20.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 67.0 p -55.09 148.98 12.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 41.9 m -108.07 101.66 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 99.0 p -66.2 155.3 37.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 110.882 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 17.3 m -79.2 -56.76 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 135.08 -72.59 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.5 m 43.66 42.38 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.4 m -161.38 156.49 23.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -150.54 150.77 22.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -94.06 152.37 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.02 98.98 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.76 149.72 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -67.45 125.5 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -123.74 82.41 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -109.96 50.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.97 -178.3 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.8 m -65.43 122.21 16.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.4 t -109.86 16.09 22.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.454 HG21 ' CD2' ' A' ' 535' ' ' PHE . 59.3 t -118.28 125.85 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.469 ' SD ' ' CD2' ' A' ' 449' ' ' LEU . 8.8 tmm? -119.18 132.69 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.48 137.7 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.469 ' CD2' ' SD ' ' A' ' 447' ' ' MET . 19.8 mt -112.23 130.38 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -124.86 144.05 50.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.0 t30 71.48 36.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 14.2 ttt -89.48 -66.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.23 131.6 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.09 158.52 1.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -0.94 7.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -87.98 -22.75 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.88 4.41 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 28.4 mm -58.53 107.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -137.22 166.73 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.71 -11.55 60.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -87.5 -35.86 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 463' ' ' GLU . 17.5 tp -50.42 -63.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' LEU . 7.3 tt0 -34.64 -58.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -53.18 -44.72 64.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -53.88 -60.71 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.77 -32.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 48.3 m -67.34 -52.03 45.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.38 -17.1 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -82.45 -40.24 21.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 28.9 m -73.73 -22.75 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -49.22 -40.33 29.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.435 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -46.54 -47.84 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -61.41 -55.48 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.29 -165.87 29.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -72.96 109.06 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.88 120.05 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.73 -52.65 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . 0.41 ' HB2' ' NH1' ' A' ' 478' ' ' ARG . 4.2 ptm85 -167.39 165.14 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 480' ' ' ILE . 64.8 t -138.48 142.06 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . 0.468 ' N ' HG13 ' A' ' 479' ' ' VAL . 45.5 mt -132.09 132.44 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.12 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -108.62 137.85 45.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -141.32 156.78 45.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -174.88 165.1 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . 0.418 ' O ' ' NE2' ' A' ' 486' ' ' GLN . 22.8 ttmt -83.87 145.71 28.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 485' ' ' LYS . 39.8 mm-40 -119.47 26.99 9.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -154.01 151.82 23.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -72.79 -28.84 62.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -52.29 157.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -78.28 -32.69 49.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -105.0 18.69 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -48.96 161.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -72.55 144.99 47.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 18.8 mm -108.46 118.32 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.539 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.2 pp -82.63 172.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . 0.44 ' N ' HD11 ' A' ' 495' ' ' ILE . 88.8 t -151.7 107.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -98.75 112.16 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 65.2 mt -97.3 113.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' A' ' 530' ' ' TYR . 47.0 m-85 -94.76 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 83.2 t -133.27 104.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.44 133.02 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -110.6 176.61 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -46.81 70.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.9 pt -123.08 165.73 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -70.53 -38.0 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 23.2 t -50.22 -62.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -45.69 -43.92 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 27.2 m -62.71 -59.62 4.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -40.85 -40.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -67.16 -58.77 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -43.45 -37.52 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' A' ' 516' ' ' ASN . 68.7 mt -74.27 -43.62 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.59 -27.6 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -97.22 -53.78 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . 0.416 ' CD1' ' HE2' ' A' ' 447' ' ' MET . 29.4 mt -66.2 -4.49 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 0.9 OUTLIER -68.19 -8.5 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.82 19.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -56.85 157.84 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -109.79 120.71 43.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 522' ' ' GLY . 29.6 t80 -90.66 157.96 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.484 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.37 85.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.95 12.98 78.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -145.28 171.16 14.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.33 143.95 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 16.6 t -109.04 156.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 86.4 t -143.74 105.09 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . 0.459 ' HB1' ' CD2' ' A' ' 449' ' ' LEU . . . -98.01 127.77 44.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 4.4 tt0 -124.23 163.98 20.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.51 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 25.1 t -90.05 115.08 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' A' ' 499' ' ' PHE . 25.7 t80 -75.13 162.54 28.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -80.71 126.48 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 535' ' ' PHE . 2.6 pp0? -85.33 -43.1 13.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 532' ' ' GLN . 27.1 tt0 -35.47 -39.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -90.2 -32.26 16.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 532' ' ' GLN . 8.2 t80 -75.86 48.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -98.76 -35.37 10.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 539' ' ' ASP . 0.6 OUTLIER -116.53 136.79 52.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 14.5 t -40.48 -27.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 537' ' ' ASN . 0.5 OUTLIER -85.48 102.75 13.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 3.4 pp -103.36 -28.09 12.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 40.0 t -59.13 -57.28 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -107.79 140.0 41.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.9 t -39.12 156.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -111.18 -158.31 15.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 151.43 69.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 71.7 m -152.26 153.01 32.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 7.1 t -137.53 147.79 45.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 84.4 p -121.09 155.36 34.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 69.6 m -162.55 124.14 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 90.38 -144.71 17.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.0 t -95.85 151.0 19.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 70.4 m -56.38 127.8 32.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 61.8 164.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.542 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . 0.471 ' N ' ' HD3' ' A' ' 437' ' ' LYS . 0.0 OUTLIER -116.89 -0.85 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.331 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.95 -46.36 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 17.1 mt -51.69 91.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -65.6 102.74 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -44.09 133.24 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -131.5 141.22 49.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.05 153.21 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 3.6 m -65.94 116.8 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.403 ' C ' HG23 ' A' ' 508' ' ' THR . 14.7 t -107.88 18.74 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.0 106.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -95.04 139.66 31.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.18 140.91 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 20.6 mt -115.93 141.01 48.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -132.64 167.85 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.9 t30 41.2 39.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 14.0 ttt -92.86 -58.2 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.567 HG13 ' CZ ' ' A' ' 520' ' ' PHE . 4.9 m -142.99 144.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.26 159.99 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.38 11.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -87.25 -38.38 16.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 458' ' ' ILE . 19.8 t70 -65.92 -30.61 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 457' ' ' ASP . 29.8 mm -36.61 118.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -158.99 167.69 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.61 -33.83 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.6 tp -53.35 -55.84 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 462' ' ' LEU . 15.0 tt0 -34.86 -54.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.31 -44.64 95.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.33 -47.22 72.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.03 -40.5 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.5 m -56.09 -42.83 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.0 -50.71 46.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -46.95 -48.29 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 59.0 m -65.99 -28.9 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.15 -29.91 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 23.2 m-85 -48.45 -62.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -162.89 -162.96 14.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.439 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -76.92 111.8 12.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.64 121.86 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -89.74 -59.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -137.54 151.31 48.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.86 113.71 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 481' ' ' ILE . 22.0 mt -128.53 141.69 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.433 ' N ' HG23 ' A' ' 480' ' ' ILE . 79.4 mt -121.27 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.571 ' CE1' ' O ' ' A' ' 540' ' ' LEU . 10.2 t80 -94.53 152.1 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -143.22 139.93 30.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 3.9 tp10 -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 484' ' ' GLU . 21.5 tttt -83.49 139.42 32.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -88.89 24.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.86 0.72 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.458 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -52.33 -25.68 10.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.52 129.08 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -61.15 -17.39 52.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -81.04 -19.42 43.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -64.36 156.2 29.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -101.34 151.12 22.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 18.2 mm -93.99 98.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.513 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.8 pp -82.65 166.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 98.3 t -129.94 125.43 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -105.37 112.28 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 77.5 mt -97.97 116.28 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -96.78 118.27 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 75.1 t -122.21 103.26 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -94.57 144.83 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -115.77 166.78 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 33.4 p -56.52 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.5 pt -121.22 164.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.67 -46.78 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 11.0 t -44.18 -54.53 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -43.39 70.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 445' ' ' THR . 96.4 m -56.1 -54.98 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -51.11 -46.47 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -54.17 -58.24 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.81 -42.07 25.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.06 -51.39 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -55.49 -27.29 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.73 -49.25 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 11.0 mt -91.77 22.95 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 1.5 t-20 -86.43 -1.66 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -169.25 24.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -65.83 158.58 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -105.66 120.85 42.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.567 ' CZ ' HG13 ' A' ' 453' ' ' VAL . 28.2 t80 -91.73 158.26 16.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.425 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.72 89.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.27 11.3 85.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -143.93 171.35 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -116.57 135.36 53.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 85.3 t -99.12 150.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 19.7 t -140.01 117.84 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 528' ' ' GLU . . . -100.96 160.43 14.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 527' ' ' ALA . 30.4 mt-10 -164.49 171.54 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 8.0 p -106.81 116.73 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -84.74 170.05 13.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.8 102.41 9.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.434 ' C ' ' OE1' ' A' ' 532' ' ' GLN . 2.5 pp0? -68.34 -21.8 64.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.1 -42.27 98.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -88.07 -19.76 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -57.62 -27.1 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -45.06 -43.66 9.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -61.3 113.33 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 19.3 t -81.98 42.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.8 86.38 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.571 ' O ' ' CE1' ' A' ' 482' ' ' TYR . 4.3 mm? -75.56 -27.49 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 52.9 p -67.01 -175.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -75.72 53.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.6 m -154.9 167.33 30.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 151.7 -158.09 27.57 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 108.95 2.2 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.67 2.246 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 58.8 m -75.65 150.82 37.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 7.6 t -144.67 115.75 7.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 30.5 t -157.98 142.24 16.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 66.9 p -160.46 149.97 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.809 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 152.5 165.11 12.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 38.3 m -88.17 -55.86 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 82.5 p -61.88 161.89 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -151.09 -41.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -133.89 110.42 9.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -105.64 26.76 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 61.4 mt -47.0 115.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -110.98 148.08 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -49.65 94.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -127.01 -178.38 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 505' ' ' ALA . 63.3 mm-40 -61.17 -178.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 97.0 p -61.88 110.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.4 t -111.37 13.14 21.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.566 HG22 ' CE2' ' A' ' 535' ' ' PHE . 42.1 t -110.95 129.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 33.4 ttp -121.08 139.26 53.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 528' ' ' GLU . 7.8 p -114.17 128.91 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.07 135.47 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 451' ' ' ASN . 76.2 mtp180 -130.16 175.82 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 450' ' ' ARG . 1.2 t30 37.38 43.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 5.0 ttt -99.78 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.552 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.6 m -140.4 133.34 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.29 159.31 4.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -1.9 9.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -89.93 -35.03 15.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.33 11.59 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.41 108.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -133.55 153.36 51.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 460' ' ' ASP . 0.0 OUTLIER -46.45 -31.89 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -43.74 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 18.4 tp -43.4 -61.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -39.18 -52.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.75 89.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -51.35 -47.66 62.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.17 -45.34 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 74.6 m -55.75 -44.57 77.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.93 -51.46 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -56.19 -31.42 63.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 0.506 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 93.7 m -76.88 -27.96 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -54.18 -35.15 54.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.43 -47.07 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.512 ' CG ' ' HB3' ' A' ' 511' ' ' ALA . 24.6 m-85 -58.23 -54.58 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -169.18 -134.51 1.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -105.08 111.39 24.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.39 125.87 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.83 -52.75 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -157.14 171.22 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.0 t -146.0 141.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 481' ' ' ILE . 14.6 mt -121.97 138.67 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.437 ' N ' HG21 ' A' ' 480' ' ' ILE . 90.4 mt -113.64 92.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -93.15 122.58 35.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.39 106.89 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 5.2 tp10 -153.91 158.67 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 484' ' ' GLU . 17.7 ttmt -67.89 135.36 52.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -95.47 26.93 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 174.69 119.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -44.77 -30.36 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.35 121.9 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -50.64 -30.59 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.78 -30.18 71.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -55.04 126.64 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 3.5 tp10 -80.45 154.25 27.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 493' ' ' GLU . 22.2 mm -88.5 125.31 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.501 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.1 pp -101.36 174.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . 0.456 ' N ' HD12 ' A' ' 495' ' ' ILE . 96.5 t -148.65 116.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -110.03 114.11 27.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.6 mt -97.07 112.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.558 ' CZ ' HD13 ' A' ' 540' ' ' LEU . 44.5 m-85 -96.79 130.73 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.452 HG13 ' CE1' ' A' ' 502' ' ' PHE . 97.4 t -124.47 108.22 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -95.47 134.66 38.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . 0.452 ' CE1' HG13 ' A' ' 500' ' ' VAL . 95.0 m-85 -111.85 -178.7 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 21.2 t -73.42 -49.52 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . 0.41 ' CG1' ' HG2' ' A' ' 507' ' ' GLU . 23.3 pt -113.96 172.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . 0.415 ' CB ' ' HB2' ' A' ' 443' ' ' GLU . . . -78.49 -42.5 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.41 ' HG2' ' CG1' ' A' ' 504' ' ' ILE . 3.3 mm-40 -44.05 -49.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 23.7 m -56.19 -53.18 60.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -47.12 -43.24 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -61.62 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.512 ' HB3' ' CG ' ' A' ' 473' ' ' PHE . . . -43.3 -35.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.9 mt -75.39 -54.59 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -45.61 -28.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -93.62 -61.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.61 -10.41 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 512' ' ' ILE . 25.7 t30 -72.93 -0.01 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.78 25.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -70.03 153.03 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -102.91 115.04 29.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.552 ' CZ ' HG12 ' A' ' 453' ' ' VAL . 15.8 t80 -85.38 157.86 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.91 85.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.06 21.82 64.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -155.36 171.12 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -111.86 141.62 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 93.5 t -107.77 155.1 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 63.6 t -143.18 125.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -117.42 125.26 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 21.3 tt0 -110.07 167.09 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.515 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 12.0 p -102.74 112.02 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -83.04 101.91 11.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.44 162.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 535' ' ' PHE . 10.2 tm0? -71.12 -58.58 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 532' ' ' GLN . 4.7 pt-20 -34.39 -60.26 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -59.13 -36.06 74.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 446' ' ' VAL . 11.3 t80 -76.59 3.06 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.461 ' OD1' ' C ' ' A' ' 536' ' ' ASP . 16.4 t0 -41.9 -49.81 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.22 127.52 37.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 54.3 p -50.65 -19.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.22 143.93 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.558 HD13 ' CZ ' ' A' ' 499' ' ' PHE . 0.1 OUTLIER -119.37 32.83 5.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 14.2 m -101.81 178.62 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.5 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 1.2 t -82.72 170.76 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 128.58 -168.67 20.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 157.51 60.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 2.6 m -141.02 152.24 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 9.3 t -171.58 156.23 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.49 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 31.0 m -82.83 90.84 6.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.804 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 4.4 m -73.66 169.38 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 56.51 161.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 65.8 m -152.43 134.82 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.88 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 61.8 m -126.72 161.72 27.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 65.4 141.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -65.61 89.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.66 -13.29 62.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 6.5 mt -90.33 93.8 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.9 155.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -80.58 123.0 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -95.84 154.94 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . 0.492 ' O ' ' NE2' ' A' ' 532' ' ' GLN . 1.2 pm0 -99.84 143.19 30.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 88.4 p -79.36 108.89 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.0 t -120.7 11.69 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 95.0 t -111.26 106.94 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.403 ' HG2' ' N ' ' A' ' 448' ' ' VAL . 36.1 ttp -101.04 154.12 18.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.403 ' N ' ' HG2' ' A' ' 447' ' ' MET . 4.2 p -125.85 135.0 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 25.1 mt -110.65 136.89 49.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -129.36 146.89 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 64.24 45.39 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 13.2 ttt -88.39 -53.22 4.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.615 ' CG1' ' CZ ' ' A' ' 520' ' ' PHE . 2.4 m -155.0 147.45 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . 0.456 ' CG ' ' HD2' ' A' ' 455' ' ' PRO . 2.0 t70 -42.07 143.19 1.04 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 454' ' ' ASP . 53.4 Cg_endo -69.75 5.35 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -105.86 -20.65 13.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.76 -11.28 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.5 mm -53.01 117.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -140.83 161.95 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -41.86 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.65 -36.23 73.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.0 tp -47.82 -58.64 4.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 462' ' ' LEU . 20.4 tt0 -37.42 -51.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.44 -46.42 94.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.45 -40.73 68.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.41 -43.46 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 99.4 m -54.63 -43.11 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.98 -40.38 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.43 -33.95 73.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 68.6 m -87.3 -28.16 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.51 -39.64 5.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.07 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -38.8 -53.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -172.94 -170.65 36.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.36 114.4 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 67.6 t -80.59 126.11 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -48.91 17.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -172.46 173.69 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.8 t -146.24 124.82 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 44.0 mt -113.36 122.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.48 110.86 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -119.59 134.78 55.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -143.57 130.75 20.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -160.46 136.71 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -51.71 156.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -113.57 22.58 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -168.08 114.51 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -42.0 -30.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -49.35 162.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.41 -15.48 27.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.09 -19.75 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -53.38 139.8 29.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 4.2 tp10 -80.01 157.69 26.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 493' ' ' GLU . 24.7 mm -95.56 128.18 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.473 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.5 pp -94.86 166.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 91.5 t -140.24 113.47 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -109.86 116.93 32.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 69.1 mt -103.77 127.3 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.64 126.28 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.55 ' CG1' ' CE1' ' A' ' 502' ' ' PHE . 45.8 t -121.82 101.7 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -96.09 129.32 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . 0.55 ' CE1' ' CG1' ' A' ' 500' ' ' VAL . 48.2 m-85 -109.62 -177.68 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -41.28 29.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 21.8 pt -128.26 159.98 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . 0.431 ' HB1' ' CG ' ' A' ' 443' ' ' GLU . . . -65.88 -38.5 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.4 t -47.28 -64.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -44.29 -46.18 9.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 19.5 m -61.72 -51.55 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -45.69 -47.88 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.75 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -39.98 -36.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.33 -57.01 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -42.39 -29.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.43 -58.56 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 518' ' ' ARG . 14.6 mt -57.7 -11.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -60.35 -11.32 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -156.88 16.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.42 ' CG ' ' HA ' ' A' ' 515' ' ' LEU . 14.0 mmt180 -55.69 153.31 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -108.28 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.615 ' CZ ' ' CG1' ' A' ' 453' ' ' VAL . 42.3 t80 -87.7 158.13 18.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.06 84.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 81.01 20.38 65.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -151.51 166.82 29.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -106.4 146.43 30.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 43.1 t -115.3 142.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 42.9 t -135.77 118.28 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . 0.42 ' C ' ' HG2' ' A' ' 528' ' ' GLU . . . -105.7 140.48 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 527' ' ' ALA . 5.4 mm-40 -145.45 158.73 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 39.2 t -84.78 125.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -98.37 133.95 42.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -51.53 153.82 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 535' ' ' PHE . 46.9 mt-30 -101.15 -50.15 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -39.68 -51.37 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -73.0 -24.12 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 532' ' ' GLN . 54.3 t80 -82.86 36.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -84.75 -49.88 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -67.98 118.64 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 73.5 m -84.23 42.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -164.02 105.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 13.4 mt -88.2 43.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 12.0 t -126.83 170.52 12.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -43.93 -58.13 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.2 t -81.57 120.19 24.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -132.81 -177.04 14.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.68 5.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 7.5 t -54.1 -56.47 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 62.8 p -155.2 137.67 15.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.796 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 13.3 m -155.32 175.8 13.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 25.6 p -108.9 -58.02 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 53.83 99.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.444 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 34.6 p -162.15 156.57 22.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 56.9 m -141.14 138.71 33.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 71.58 93.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -82.71 91.18 6.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.19 -61.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 31.2 mt -89.03 170.91 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -101.25 110.66 22.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -96.94 167.1 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -92.97 112.84 24.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -40.38 154.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 13.4 p -53.74 104.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.5 t -98.55 13.07 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.92 115.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -105.54 151.77 23.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.6 133.64 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 43.7 mt -103.43 140.37 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -130.93 158.11 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.1 t30 51.07 31.2 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.3 ttt -76.2 -69.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.566 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.2 m -142.03 131.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -51.04 158.55 1.18 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.36 3.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -87.68 -32.18 19.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.82 17.36 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 20.4 mm -70.25 114.49 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.415 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 58.7 m-20 -143.34 158.92 43.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -34.71 68.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.415 ' OD1' ' CB ' ' A' ' 459' ' ' ASP . 5.8 p-10 -63.26 -41.66 99.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 463' ' ' GLU . 32.1 tp -39.44 -59.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' LEU . 27.1 tt0 -36.26 -48.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.52 95.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 462' ' ' LEU . 27.7 mt-10 -57.68 -37.54 73.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.33 -39.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 80.9 m -64.56 -49.54 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.41 -48.69 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.74 -44.1 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 74.0 m -72.04 -31.55 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -50.67 -42.43 44.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -43.85 -56.53 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 28.1 m-85 -50.79 -55.52 16.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -165.6 -160.91 13.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.18 112.82 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.32 139.33 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.63 -51.98 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -147.13 151.69 37.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.93 116.32 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.1 mt -134.76 139.67 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 50.7 mt -122.0 108.24 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 540' ' ' LEU . 9.1 t80 -110.55 149.52 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -144.62 147.06 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -161.73 164.78 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -87.49 141.76 28.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -114.75 24.51 11.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -150.85 150.62 22.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.12 -31.64 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -44.29 128.65 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.88 -19.76 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.0 24.77 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -53.17 172.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.94 147.23 48.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.7 mm -115.91 106.74 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.448 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.3 pp -85.02 176.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 92.5 t -146.69 112.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -95.96 117.02 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.83 117.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -94.49 139.12 31.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 70.4 t -142.34 106.14 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -95.69 138.38 33.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.84 165.76 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 60.4 p -56.77 -43.66 81.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.4 pt -126.62 171.44 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.99 -41.78 63.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 9.9 t -47.78 -66.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -42.59 -42.98 3.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 8.9 m -57.31 -68.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -39.74 -39.88 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -61.44 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.54 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -45.39 -41.9 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.76 -62.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -45.58 -29.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.97 -49.71 9.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.13 28.89 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.77 -4.33 57.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.99 23.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -65.79 157.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -106.26 119.91 40.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 453' ' ' VAL . 33.4 t80 -89.55 157.96 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.93 83.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.69 15.98 66.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -149.56 171.19 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -118.26 135.26 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 90.9 t -100.73 148.81 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 22.2 t -141.02 108.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.28 147.35 23.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -162.81 177.26 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 64.8 t -94.72 132.13 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -93.97 169.32 10.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -69.54 99.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -69.67 -31.41 69.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -53.29 -51.68 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -80.77 -38.3 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 536' ' ' ASP . 71.3 t80 -41.26 -38.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 535' ' ' PHE . 4.6 t70 -37.85 -41.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . 0.408 ' CG ' ' HD2' ' A' ' 545' ' ' PRO . 12.8 t30 -73.14 101.91 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 32.0 t -79.35 45.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.78 46.49 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 482' ' ' TYR . 4.5 mp -41.31 -55.58 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 50.3 m -38.7 -51.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -88.85 163.69 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.4 t -55.43 -46.86 76.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 111.0 161.77 17.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 537' ' ' ASN . 53.8 Cg_endo -69.81 -175.67 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 3.4 t -108.69 161.05 15.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 74.9 m -142.99 144.56 32.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 64.2 m -114.78 43.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 28.9 p -107.57 140.04 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.65 143.76 6.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 52.8 p -149.9 117.2 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.1 m -89.43 171.53 9.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 170.98 143.5 4.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -56.39 137.55 52.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.354 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.17 128.45 40.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 5.1 tp -77.66 -32.26 53.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.08 168.39 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -93.26 117.17 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 443' ' ' GLU . 5.3 tt0 -78.8 162.42 26.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 442' ' ' GLN . 6.9 pt-20 -34.97 134.66 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.1 p -97.26 85.87 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.4 t -92.68 16.14 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 69.0 t -103.79 112.6 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.462 ' HB2' ' CG2' ' A' ' 508' ' ' THR . 38.4 ttp -99.34 159.88 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 528' ' ' GLU . 2.5 p -137.62 129.74 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 45.1 mt -108.55 127.69 54.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -132.0 146.11 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 524' ' ' LYS . 48.1 t30 74.0 24.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 6.1 ttt -89.27 -59.44 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 11.0 m -139.46 157.31 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -82.99 161.39 58.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . 0.412 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.3 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -90.9 -38.73 12.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.7 -20.23 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . 0.412 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 44.5 mm -48.16 124.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -163.96 166.97 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.9 -23.33 18.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.78 -43.45 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 25.1 tp -58.74 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -37.72 -49.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.48 -46.92 65.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.79 -46.44 67.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.31 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 31.2 m -52.91 -50.39 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -68.0 -51.83 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.39 -40.01 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 0.402 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 80.5 m -74.87 -37.58 62.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.52 -26.72 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -60.29 -54.53 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.513 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 38.5 m-85 -49.68 -43.98 47.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -179.34 -137.7 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -97.6 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.3 t -78.66 117.53 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -75.92 -52.97 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -164.02 158.69 19.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 77.7 t -126.03 147.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 70.2 mt -144.23 137.3 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 47.7 mt -117.33 106.52 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.62 139.45 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.31 123.62 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 11.3 tp10 -134.51 153.14 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 484' ' ' GLU . 26.8 ttmt -66.34 126.45 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -106.06 27.92 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -165.08 135.53 3.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.7 -39.16 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -38.47 137.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -45.89 -43.52 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -110.68 35.37 3.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -52.24 169.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.63 153.07 35.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.32 139.08 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.498 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.0 pp -106.32 176.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 93.0 t -152.33 106.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -101.74 110.08 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.37 109.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.568 ' CE2' ' HG ' ' A' ' 540' ' ' LEU . 72.3 m-85 -88.22 128.96 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.44 HG12 ' CZ ' ' A' ' 502' ' ' PHE . 68.8 t -125.61 100.2 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . 0.44 ' CZ ' HG12 ' A' ' 500' ' ' VAL . 42.7 m-85 -105.0 -178.78 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.4 t -76.64 -39.54 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 12.1 pt -128.23 148.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.51 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 28.1 t -51.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -44.75 -44.12 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 447' ' ' MET . 38.5 m -57.62 -58.55 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -44.66 -44.1 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.53 -61.54 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.513 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.07 -34.4 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 516' ' ' ASN . 93.2 mt -70.55 -57.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.9 -27.27 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.78 -53.53 5.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 527' ' ' ALA . 16.5 mt -91.13 24.23 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 516' ' ' ASN . 2.4 t-20 -85.04 0.13 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -178.75 39.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 518' ' ' ARG . 3.2 mmp_? -77.92 166.65 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -110.07 103.4 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.452 ' HB2' ' CG2' ' A' ' 525' ' ' VAL . 32.0 t80 -79.08 157.98 27.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.89 96.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.064 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 66.11 29.74 75.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.527 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 27.9 mtp180 -162.01 164.67 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . 0.463 ' O ' ' ND2' ' A' ' 451' ' ' ASN . 11.7 tptm -102.85 143.66 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 21.9 t -102.05 144.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . 0.438 ' N ' HG12 ' A' ' 525' ' ' VAL . 61.9 t -134.8 119.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 515' ' ' LEU . . . -124.86 138.12 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 448' ' ' VAL . 2.5 pm0 -158.54 160.01 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.75 119.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' A' ' 534' ' ' ARG . 1.6 t80 -70.09 174.7 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -99.28 123.37 43.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 533' ' ' GLU . 12.8 tt0 -52.34 -52.18 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 532' ' ' GLN . 27.8 tt0 -31.9 -76.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 530' ' ' TYR . 1.7 ptp180 -48.94 -37.1 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 532' ' ' GLN . 34.7 t80 -75.64 48.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.62 -39.57 9.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -114.73 -179.41 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 4.8 m -82.22 43.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -131.77 93.16 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 499' ' ' PHE . 4.0 mm? -81.21 43.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.0 t -134.0 -177.51 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -85.24 47.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 84.5 p -169.74 171.54 7.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 170.41 -178.08 43.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 84.24 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.65 2.234 . . . . 0.0 112.386 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 1.2 t 69.61 30.93 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -51.28 104.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 3.3 m -109.49 92.75 4.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 36.4 p -42.2 154.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 125.76 166.75 12.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 7.0 m -55.97 -46.89 78.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 36.7 t -56.08 103.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 111.03 55.88 0.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.442 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -134.07 172.35 12.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 3.8 mp -44.8 128.98 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 10.0 tp -82.59 40.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 441' ' ' LYS . 0.0 OUTLIER -74.15 133.64 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 440' ' ' ARG . 47.3 mtmt -43.92 106.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -79.77 114.04 18.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -98.37 108.34 21.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 65.8 m -72.04 112.4 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -103.2 13.73 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 59.1 t -108.07 116.69 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 31.2 ttp -106.17 139.84 40.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.45 ' CG1' ' HG3' ' A' ' 528' ' ' GLU . 11.6 p -109.02 134.1 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.96 138.05 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -132.95 173.49 11.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 30.4 t30 37.36 45.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 21.5 ttt -102.46 -64.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.95 127.8 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -50.55 159.8 0.84 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.74 12.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -86.72 -31.17 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.78 13.57 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 44.5 mm -75.34 101.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -139.1 164.43 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.7 -38.49 78.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.29 -41.72 93.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 28.5 tp -52.37 -51.89 56.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -39.01 -52.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.09 -44.15 96.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.03 -51.16 44.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.0 -40.98 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 93.5 m -58.22 -45.18 88.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.34 -30.52 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.42 -48.5 69.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLY . 71.0 m -64.81 -34.69 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -36.26 -41.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.92 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.406 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 17.7 m-85 -44.89 -55.14 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . 0.415 ' HA3' ' CD ' ' A' ' 507' ' ' GLU . . . -169.7 -169.91 33.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.95 114.8 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.99 125.67 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -90.29 -60.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -142.33 150.17 40.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.96 112.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 19.0 mt -127.31 130.3 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 45.8 mt -106.33 103.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.426 ' CE1' ' HB3' ' A' ' 540' ' ' LEU . 23.1 t80 -104.33 150.34 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -145.56 162.27 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . 0.459 ' O ' ' NE2' ' A' ' 486' ' ' GLN . 15.0 tp10 -167.87 162.81 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . 0.42 ' HG3' ' CD1' ' A' ' 494' ' ' ILE . 9.8 ttpt -98.9 130.1 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 484' ' ' GLU . 2.9 mp0 -89.05 23.83 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 489' ' ' GLU . . . 174.78 109.99 0.25 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 487' ' ' GLY . 36.1 tt0 -37.31 -28.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 487' ' ' GLY . 26.9 mt-10 -63.64 138.02 58.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.02 -32.42 72.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -68.31 -27.35 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -46.91 147.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.18 142.7 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 32.2 mm -112.47 101.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.484 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.9 pp -94.69 155.71 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 54.7 t -123.91 140.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -116.22 106.23 13.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 50.5 mt -90.72 123.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -96.51 123.17 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.511 HG11 ' CE1' ' A' ' 502' ' ' PHE . 55.2 t -122.63 101.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -98.87 132.95 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . 0.511 ' CE1' HG11 ' A' ' 500' ' ' VAL . 56.3 m-85 -108.76 165.97 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.4 m -62.76 -24.55 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 17.6 pt -144.21 149.98 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.04 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 26.2 m -45.54 -62.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.415 ' CD ' ' HA3' ' A' ' 474' ' ' GLY . 96.3 mt-10 -48.65 -36.1 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 15.0 m -66.22 -58.08 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -45.1 -46.17 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.67 -66.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.406 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -39.9 -30.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 514' ' ' ALA . 81.3 mt -80.93 -60.39 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -43.31 -23.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 512' ' ' ILE . . . -99.74 -57.97 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.51 -7.97 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -62.26 -9.99 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.91 40.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -73.18 162.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -113.2 114.07 26.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' A' ' 522' ' ' GLY . 36.5 t80 -86.62 158.32 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.23 84.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.84 14.2 75.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -147.4 171.46 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -113.49 141.57 46.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 76.2 t -110.01 151.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 83.7 t -134.82 119.84 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -115.68 144.76 43.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.45 ' HG3' ' CG1' ' A' ' 448' ' ' VAL . 7.7 pt-20 -159.08 161.83 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.85 151.57 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 531' ' ' ASP . 83.7 t80 -119.86 166.7 12.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . 0.511 ' N ' ' CG ' ' A' ' 530' ' ' TYR . 4.5 m-20 -73.5 80.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 533' ' ' GLU . 14.4 tt0 -44.37 -58.9 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 532' ' ' GLN . 39.2 tt0 -35.93 -44.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 536' ' ' ASP . 39.8 mmm-85 -63.21 -52.51 61.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 534' ' ' ARG . 31.1 t80 -36.14 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 534' ' ' ARG . 7.7 t0 -49.06 -62.26 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 534' ' ' ARG . 1.3 p30 -47.43 -51.59 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 8.3 t 67.85 42.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.38 78.13 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 482' ' ' TYR . 4.8 mt -86.89 -42.53 13.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 32.9 p -79.79 -45.66 18.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -83.53 165.55 19.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 40.5 m -59.44 -46.43 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 125.7 -159.15 20.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 104.65 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 67.2 m -128.94 156.03 44.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 3.7 m -93.62 -60.95 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 28.0 p -127.39 165.87 18.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 4.7 t -157.06 133.64 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -163.96 -81.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 60.9 p -60.04 -32.19 70.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.1 p -95.74 129.55 42.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -150.78 157.86 27.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.6 115.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.47 -55.03 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.33 115.04 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -41.12 139.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -77.9 129.33 35.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -124.05 90.26 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 505' ' ' ALA . 0.1 OUTLIER -102.28 -177.98 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 48.0 t -78.75 95.42 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.4 t -88.89 9.26 25.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 13.0 t -108.97 107.48 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.434 ' CG ' ' N ' ' A' ' 448' ' ' VAL . 26.0 ttp -98.52 159.79 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 447' ' ' MET . 10.5 p -133.95 139.57 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 69.0 mt -115.51 127.66 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -120.29 134.38 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 17.7 t30 71.88 46.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 14.0 ttt -95.11 -61.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 25.4 m -135.18 137.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.6 158.09 61.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -17.27 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -96.76 13.17 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 43.0 mm -60.13 102.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -138.96 162.89 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -74.17 -37.23 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 33.7 tp -53.08 -52.97 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.5 -57.56 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -57.96 -41.61 94.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.55 -50.31 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.19 -41.11 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 70.9 m -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -70.77 -25.66 63.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.95 -55.35 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 99.2 m -55.45 -33.92 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -43.51 -37.28 3.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -47.0 -44.97 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.542 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 32.2 m-85 -66.43 -47.78 72.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -175.97 -154.26 11.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -81.42 109.41 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.48 132.38 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 6.5 t-20 -85.52 -58.82 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -163.61 165.6 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -137.16 141.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 46.9 mt -134.2 133.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 56.2 mt -106.07 105.75 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -108.4 130.31 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -144.4 140.44 29.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -162.39 157.02 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . 0.405 ' O ' ' NE2' ' A' ' 486' ' ' GLN . 5.9 ttpm? -83.69 139.86 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 485' ' ' LYS . 45.8 mm-40 -117.83 16.01 14.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . 0.45 ' HA3' ' CB ' ' A' ' 492' ' ' ALA . . . -133.95 130.58 5.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -56.08 -32.85 64.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -50.76 134.51 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.46 -29.45 35.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.78 25.82 10.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . 0.45 ' CB ' ' HA3' ' A' ' 487' ' ' GLY . . . -51.03 -176.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -75.76 155.58 35.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 16.1 mm -131.48 107.78 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 1.5 pp -87.85 163.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -139.46 105.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -95.67 116.43 28.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 499' ' ' PHE . 57.2 mt -99.54 142.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.411 ' N ' HG21 ' A' ' 498' ' ' ILE . 84.4 m-85 -115.39 132.6 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 54.7 t -134.3 100.57 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 12.0 tt0 -100.77 136.18 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -111.46 173.02 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 27.0 t -60.48 -52.99 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 22.2 pt -112.63 169.54 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 443' ' ' GLU . . . -76.33 -38.8 55.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -47.78 -60.76 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -47.66 -44.86 27.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 94.7 m -54.85 -60.6 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -45.67 -46.09 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -55.51 -63.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.542 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.27 -45.96 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.401 ' CG1' ' SD ' ' A' ' 447' ' ' MET . 95.7 mt -58.2 -61.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -45.93 -29.49 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -45.84 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.84 23.69 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -83.06 -3.75 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.49 22.56 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 518' ' ' ARG . 6.9 mmp_? -64.73 159.87 21.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' A' ' 524' ' ' LYS . 36.7 m95 -116.74 102.76 9.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 522' ' ' GLY . 20.9 t80 -80.13 160.25 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.82 89.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 68.01 28.45 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 522' ' ' GLY . 35.8 mmt180 -154.22 120.18 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . 0.41 ' HB2' ' CZ3' ' A' ' 519' ' ' TRP . 19.0 tttm -77.84 116.92 18.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 28.3 t -79.8 148.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 39.7 t -142.98 104.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.84 138.61 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -155.31 174.55 15.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.29 145.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.532 ' CG ' ' N ' ' A' ' 531' ' ' ASP . 66.3 t80 -121.16 168.76 11.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 530' ' ' TYR . 12.9 m-20 -33.9 95.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 530' ' ' TYR . 1.0 OUTLIER -86.2 -8.11 58.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -111.76 -31.33 7.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.4 ' HD2' ' CG ' ' A' ' 531' ' ' ASP . 8.0 mtt-85 -82.75 -24.57 33.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -82.21 39.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -85.39 -39.68 17.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 538' ' ' SER . 9.3 m120 -115.08 158.6 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 537' ' ' ASN . 71.7 m -34.77 -51.67 0.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -52.9 121.89 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 3.3 pp -126.09 -28.82 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 96.8 p -77.55 -41.96 37.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -83.86 33.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 53.7 m 48.44 42.35 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 80.01 -159.07 43.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 99.2 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 42.3 t -81.9 -55.57 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 81.3 p -129.13 121.5 27.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 93.0 p -126.3 154.36 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 8.5 t -152.18 151.76 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.04 104.3 2.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 5.2 t -69.03 134.0 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 99.1 p -155.2 116.2 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -100.83 175.35 26.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 109.68 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.356 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 438' ' ' LEU . 10.7 mp -99.75 172.1 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 7.9 mp -103.91 37.6 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -117.74 128.75 55.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -107.73 127.87 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -83.84 142.18 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -40.96 135.63 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.0 p -104.28 124.91 50.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.414 ' C ' HG23 ' A' ' 508' ' ' THR . 7.8 t -127.17 11.51 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 77.5 t -115.75 102.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 32.5 ttp -93.12 136.03 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 528' ' ' GLU . 12.5 p -109.36 115.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.45 138.16 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 451' ' ' ASN . 0.6 OUTLIER -120.82 167.71 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 450' ' ' ARG . 11.2 t-20 34.28 39.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 ttt -83.66 -66.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.22 128.21 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . 0.491 ' OD1' ' CZ ' ' A' ' 523' ' ' ARG . 1.4 m-20 -56.37 159.43 6.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.73 3.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.83 -20.82 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.31 11.63 23.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.0 mm -60.89 99.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -137.97 178.64 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.63 -40.02 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.89 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 463' ' ' GLU . 16.4 tp -47.46 -57.28 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.3 tt0 -38.03 -53.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.11 98.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.45 -50.24 65.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -40.04 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.2 m -59.63 -59.34 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.26 -45.09 88.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.77 -41.05 61.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 99.1 m -68.64 -35.76 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -38.11 -41.71 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -63.16 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 14.7 m-85 -48.86 -39.93 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 166.41 -175.13 41.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -55.83 120.64 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 59.2 t -88.01 122.98 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.5 -52.31 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.6 ptm85 -165.93 171.22 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.8 122.97 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . 0.435 ' CG2' ' HG ' ' A' ' 540' ' ' LEU . 61.3 mt -115.84 129.98 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 64.2 mt -112.14 106.47 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.92 143.34 39.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -146.51 121.22 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -133.94 166.39 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -89.11 138.76 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -112.31 31.4 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -174.06 133.97 2.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 489' ' ' GLU . 11.4 tt0 -57.11 -40.21 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 488' ' ' GLU . 21.5 mm-40 -34.84 140.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -56.2 -40.61 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -111.86 32.44 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -57.97 176.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -73.1 144.1 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 20.4 mm -122.14 103.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.455 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.1 pp -77.83 152.6 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 54.8 t -130.86 106.93 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -99.91 117.99 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 64.0 mt -110.04 113.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -90.91 140.12 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.58 ' CG1' ' CE1' ' A' ' 502' ' ' PHE . 61.1 t -129.34 111.32 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.411 ' HB3' ' CG ' ' A' ' 478' ' ' ARG . 9.0 tp10 -95.18 125.57 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . 0.58 ' CE1' ' CG1' ' A' ' 500' ' ' VAL . 83.9 m-85 -110.63 170.28 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 78.3 p -63.07 -47.42 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 16.0 pt -126.64 162.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.59 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 3.0 t -53.63 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -50.13 -45.84 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 445' ' ' THR . 12.1 m -58.95 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -42.03 -41.1 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.67 -56.96 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.62 -36.85 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.86 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -41.56 -30.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.98 -48.65 9.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . 0.469 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 17.4 mt -89.44 24.64 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -86.5 -0.89 57.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -174.93 37.07 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -79.12 159.28 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -103.4 111.05 23.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.44 ' HB2' ' CG2' ' A' ' 525' ' ' VAL . 29.9 t80 -82.19 158.15 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.46 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 74.11 22.62 77.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 454' ' ' ASP . 96.7 mtt180 -155.93 169.36 24.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -106.61 150.08 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 18.5 t -113.69 145.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . 0.437 ' CG1' ' OE1' ' A' ' 528' ' ' GLU . 18.3 t -142.07 111.0 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . 0.443 ' C ' ' OE1' ' A' ' 528' ' ' GLU . . . -101.71 129.22 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.446 ' HB2' ' CG1' ' A' ' 448' ' ' VAL . 3.1 mp0 -119.55 170.01 9.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.67 147.55 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -131.07 129.92 42.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -82.82 141.83 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 535' ' ' PHE . 0.0 OUTLIER -72.86 -43.71 62.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . 0.427 ' N ' ' OE1' ' A' ' 532' ' ' GLN . 37.4 tt0 -38.17 -42.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -83.95 -28.79 27.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 532' ' ' GLN . 74.6 t80 -80.21 42.62 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -94.29 -47.91 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . 0.422 ' ND2' ' HD3' ' A' ' 545' ' ' PRO . 2.3 p30 -46.16 -40.81 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 54.1 m 43.01 42.87 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -127.42 77.15 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.435 ' HG ' ' CG2' ' A' ' 480' ' ' ILE . 4.4 mm? -87.39 46.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 34.5 t -121.7 -60.2 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.09 -60.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 34.6 p -161.89 173.19 14.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -133.33 -158.02 8.58 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.422 ' HD3' ' ND2' ' A' ' 537' ' ' ASN . 53.8 Cg_endo -69.75 131.31 20.99 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.728 2.286 . . . . 0.0 112.336 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 88.4 p -132.27 130.97 41.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 37.3 m -154.47 139.06 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 5.5 t -96.53 113.18 24.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 36.6 m -80.8 133.77 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 158.6 43.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 11.6 t -144.87 116.27 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 42.9 p -57.42 108.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -156.53 -83.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -71.62 136.57 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.65 165.49 13.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 439' ' ' LEU . 4.3 mm? -68.95 104.37 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 441' ' ' LYS . 49.5 mmt-85 -125.15 131.28 53.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 440' ' ' ARG . 0.0 OUTLIER -37.37 144.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -138.6 141.99 39.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.59 103.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.3 t -93.65 133.53 36.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.0 t -111.97 14.31 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.54 HG23 ' CD2' ' A' ' 535' ' ' PHE . 91.4 t -106.36 104.34 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.418 ' CG ' ' N ' ' A' ' 448' ' ' VAL . 44.2 ttp -93.06 159.91 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' A' ' 447' ' ' MET . 2.4 p -133.87 124.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 35.8 mt -100.23 129.15 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -126.39 165.08 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 24.5 t30 47.52 46.87 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 24.2 ttt -102.32 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.99 144.87 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . 0.457 ' CG ' ' HG2' ' A' ' 456' ' ' LYS . 40.9 p30 -59.67 153.17 53.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.92 15.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.457 ' HG2' ' CG ' ' A' ' 454' ' ' ASP . 1.0 OUTLIER -90.12 -16.28 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -96.17 8.95 42.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 13.6 mm -66.59 107.44 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.74 165.96 23.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -60.14 -29.78 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.3 -42.68 71.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 463' ' ' GLU . 46.1 tp -46.49 -63.14 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.7 tt0 -35.76 -48.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.88 93.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.34 -46.63 69.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.91 -41.18 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 62.9 m -59.45 -44.7 92.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -63.96 -60.88 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -49.56 -36.55 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 471' ' ' GLY . 99.2 m -72.72 -53.26 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -34.94 -37.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -48.17 -50.1 30.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 44.5 m-85 -57.52 -51.26 70.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.18 -160.08 18.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.1 109.96 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.52 118.71 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 503' ' ' SER . 3.4 m-20 -79.63 -46.98 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 478' ' ' ARG . 1.8 ptp180 -173.36 158.75 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 480' ' ' ILE . 63.2 t -132.45 139.81 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . 0.444 ' N ' HG11 ' A' ' 479' ' ' VAL . 68.0 mt -128.02 138.22 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . 0.443 ' N ' HG21 ' A' ' 480' ' ' ILE . 71.6 mt -112.67 100.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -116.64 133.58 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -137.95 131.66 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.9 152.8 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -58.77 133.11 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -110.97 23.5 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -159.99 145.77 11.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.18 -28.26 65.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.66 131.13 9.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -51.42 -32.55 26.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -119.13 29.77 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -51.85 179.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -89.1 145.22 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 32.6 mm -110.6 118.56 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.479 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.1 pp -91.78 177.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -138.6 121.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -107.18 109.59 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 66.4 mt -97.35 111.74 27.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -89.06 113.92 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.51 HG11 ' CE2' ' A' ' 502' ' ' PHE . 98.6 t -106.91 105.82 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -97.08 128.3 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . 0.51 ' CE2' HG11 ' A' ' 500' ' ' VAL . 64.9 m-85 -104.38 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.475 ' N ' ' OD1' ' A' ' 477' ' ' ASN . 2.0 m -87.18 -33.8 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . 0.464 HD13 ' CG ' ' A' ' 507' ' ' GLU . 0.2 OUTLIER -122.69 169.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.72 -34.34 22.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.8 m -59.33 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.464 ' CG ' HD13 ' A' ' 504' ' ' ILE . 0.8 OUTLIER -45.29 -39.91 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 3.5 m -63.97 -53.09 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -49.28 -38.8 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -64.76 -59.59 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.57 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.59 -33.61 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 47.7 mt -79.73 -54.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -46.61 -25.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.18 -58.54 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.14 -16.66 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -52.81 -17.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -159.88 45.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -82.82 158.63 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -108.09 107.08 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 522' ' ' GLY . 31.2 t80 -78.73 157.82 28.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.13 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.76 22.82 65.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -156.96 170.91 21.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -112.77 143.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 63.0 t -115.49 146.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 72.1 t -133.15 114.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.95 145.74 25.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -148.92 155.09 40.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 9.1 p -94.22 123.19 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.452 ' CZ ' ' HD2' ' A' ' 534' ' ' ARG . 17.1 t80 -84.59 135.6 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.81 122.44 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -44.9 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -41.25 -51.81 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.452 ' HD2' ' CZ ' ' A' ' 530' ' ' TYR . 10.0 ptp180 -71.37 -29.41 64.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.54 ' CD2' HG23 ' A' ' 446' ' ' VAL . 22.0 t80 -77.83 46.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -97.27 -43.19 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -85.71 126.14 33.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 51.6 m -81.54 41.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.75 92.68 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 540' ' ' LEU . 3.9 mm? -58.2 -46.85 85.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 69.0 m -58.15 174.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -84.93 44.31 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.3 m -123.27 87.69 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 178.28 177.61 47.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.04 4.8 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 77.7 p -47.45 166.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.6 t -74.05 143.54 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 14.4 t -57.96 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 34.3 p -43.81 -57.31 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 169.0 165.68 26.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 9.4 t -133.17 169.62 16.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 76.8 p -169.3 136.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -153.36 -68.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -111.61 127.09 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.94 109.28 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 439' ' ' LEU . 0.1 OUTLIER -69.53 94.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -107.08 122.37 46.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -100.99 163.19 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -117.77 138.56 51.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.47 151.82 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 154.96 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.415 ' C ' HG21 ' A' ' 508' ' ' THR . 12.1 t -131.67 7.2 4.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 535' ' ' PHE . 18.2 t -109.14 111.21 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.417 ' CE ' HD23 ' A' ' 449' ' ' LEU . 35.3 ttp -99.94 129.31 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 2.6 p -109.71 116.95 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.417 HD23 ' CE ' ' A' ' 447' ' ' MET . 20.6 mt -94.73 138.41 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -130.44 139.38 50.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 523' ' ' ARG . 1.5 t30 69.58 49.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 12.7 ttt -98.17 -62.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.84 134.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.29 158.45 19.46 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.75 10.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.649 2.233 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -86.91 -17.27 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.84 9.25 43.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 49.8 mm -61.29 106.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -137.37 172.14 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.23 -48.91 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.52 -31.54 64.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 463' ' ' GLU . 26.0 tp -51.15 -67.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 16.9 tt0 -34.83 -43.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -68.22 -46.31 65.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 462' ' ' LEU . 11.7 mm-40 -52.22 -49.46 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.82 -43.54 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 38.6 m -60.1 -47.59 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.02 -50.83 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.14 -38.11 56.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 68.1 m -69.39 -29.47 67.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.71 -28.8 60.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -55.27 -39.46 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 25.7 m-85 -71.95 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -159.82 -150.44 5.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -84.96 110.32 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 59.1 t -67.3 116.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 7.6 t-20 -75.86 -56.19 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 3.7 ptm85 -165.48 163.64 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 88.9 t -133.72 133.72 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 73.7 mt -118.98 125.93 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 91.1 mt -104.93 105.23 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.482 ' CD2' HD11 ' A' ' 540' ' ' LEU . 18.7 t80 -109.12 124.08 50.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -137.49 121.23 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -160.01 150.68 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -67.87 150.11 48.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -103.41 24.39 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 489' ' ' GLU . . . 171.45 111.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 487' ' ' GLY . 11.9 pt-20 -34.85 -34.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 487' ' ' GLY . 60.4 mm-40 -48.52 133.54 16.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -66.96 -3.93 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.91 -11.57 24.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -74.63 128.97 36.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.43 152.84 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 22.6 mm -92.11 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.447 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.1 pp -70.96 166.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 55.1 t -144.66 121.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -110.92 123.05 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.21 110.55 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.545 ' CE1' HD13 ' A' ' 540' ' ' LEU . 32.6 m-85 -92.89 142.94 26.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . 0.537 HG12 ' CE1' ' A' ' 502' ' ' PHE . 74.9 t -138.74 107.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 27.2 tt0 -99.08 135.15 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . 0.537 ' CE1' HG12 ' A' ' 500' ' ' VAL . 27.8 m-85 -107.0 172.54 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 72.8 p -64.57 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.9 pt -128.71 154.51 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.36 77.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -42.45 -64.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -42.24 -48.83 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.415 HG21 ' C ' ' A' ' 445' ' ' THR . 7.3 m -57.24 -55.95 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -43.07 -44.52 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.7 -58.25 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.409 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.7 -45.23 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 516' ' ' ASN . 52.0 mt -60.15 -58.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -50.43 -24.7 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.88 -50.44 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 21.5 mt -97.2 22.07 9.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.8 t30 -84.74 -0.83 55.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.46 29.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -71.22 161.34 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -119.31 102.05 8.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 15.6 t80 -82.1 158.46 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.531 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -44.87 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 59.2 35.03 82.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 44.4 mtp180 -163.3 119.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -77.09 120.56 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 55.9 t -79.65 150.55 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.67 111.47 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.19 117.06 33.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.541 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 9.6 tt0 -109.47 165.7 11.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.541 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 9.8 p -102.34 125.56 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 534' ' ' ARG . 1.3 t80 -94.41 99.23 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -36.92 143.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -56.83 -17.7 10.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -78.7 -44.1 24.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.574 ' HB2' ' CE2' ' A' ' 530' ' ' TYR . 0.6 OUTLIER -59.94 -33.58 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' A' ' 446' ' ' VAL . 4.6 t80 -82.4 30.19 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -72.02 -45.28 61.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -119.41 172.04 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 8.0 t -88.82 -18.23 28.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -80.98 114.57 19.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 499' ' ' PHE . 9.4 mt -91.44 -44.51 9.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.09 -70.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -106.62 138.56 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.9 p -68.7 110.35 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 50.78 -158.03 2.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 19.4 m -65.35 105.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 4.8 t -112.48 105.98 14.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 13.3 m 55.24 54.33 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 22.8 t -88.57 -47.85 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -141.05 93.31 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 435' ' ' SER . 2.9 m -143.63 117.11 9.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 434' ' ' SER . 91.8 p -35.54 143.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 137.94 130.44 2.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -119.8 140.83 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.62 32.57 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.51 129.19 38.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -116.35 166.95 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -73.83 140.29 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -109.15 103.95 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -125.79 -179.04 4.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 5.1 m -54.46 102.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.1 t -104.99 19.73 20.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 62.1 t -118.52 97.83 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 447' ' ' MET . 8.7 tmm? -93.69 136.95 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 528' ' ' GLU . 7.1 p -116.55 132.17 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 93.9 mt -99.35 133.69 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -127.61 140.99 51.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 68.04 42.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 16.7 ttt -94.69 -60.93 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.528 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 11.1 m -141.77 127.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.68 158.63 0.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.53 4.35 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -86.75 -30.73 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.14 19.0 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 33.8 mm -73.38 107.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.12 -38.54 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.04 -42.62 98.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 36.0 tp -43.91 -54.98 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -41.74 -52.48 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.53 -47.4 91.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -48.5 -57.53 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.68 -42.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.8 m -57.97 -53.65 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.1 -48.26 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -58.16 -61.55 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' GLY . 92.0 m -40.68 -43.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -38.27 -38.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.88 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 18.6 m-85 -46.75 -46.0 20.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 179.36 -158.98 23.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -75.72 116.46 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.57 118.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -78.73 -55.84 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 478' ' ' ARG . 3.9 ptp180 -162.46 167.81 22.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 61.7 t -141.34 138.61 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 75.5 mt -137.78 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.3 mt -119.31 104.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -109.09 132.78 53.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -142.28 128.73 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -147.35 163.14 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -72.51 135.32 45.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -113.53 25.65 11.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -157.5 144.22 10.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -66.16 -37.34 85.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -42.67 131.58 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -56.48 -17.34 7.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -128.47 29.51 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -59.11 171.74 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.12 153.64 38.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 51.0 mm -118.93 126.51 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.0 pp -101.36 156.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 74.4 t -131.49 109.77 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -92.93 123.63 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.22 112.73 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -95.07 131.47 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 96.7 t -134.01 112.35 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.99 141.09 37.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.67 171.09 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.2 m -58.29 -47.25 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 25.0 pt -123.56 162.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.56 -41.12 80.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 5.8 t -44.14 -63.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.34 -46.8 25.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 91.3 m -57.05 -60.98 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -41.52 -42.72 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.21 -46.57 88.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.563 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -56.3 -40.88 75.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 516' ' ' ASN . 89.6 mt -66.48 -58.46 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -45.91 -35.86 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -77.92 -52.19 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.2 25.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 516' ' ' ASN . 0.5 OUTLIER -86.5 -10.2 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -162.91 32.1 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -72.55 158.53 35.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -107.9 110.04 21.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.528 ' CZ ' HG12 ' A' ' 453' ' ' VAL . 30.4 t80 -81.44 158.14 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.29 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 79.0 22.49 65.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -153.09 166.34 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -109.29 132.54 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 54.8 t -103.19 136.66 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.21 120.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -100.2 120.92 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 32.5 tt0 -108.47 167.77 9.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.503 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 11.2 p -108.88 114.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -87.51 134.0 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -66.45 129.39 39.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 533' ' ' GLU . 10.3 pt20 -64.64 -44.46 90.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 532' ' ' GLN . 20.7 tt0 -39.94 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -45.53 -34.53 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -76.04 48.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -96.74 -40.3 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -114.63 178.82 4.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 47.8 m -79.01 46.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.94 -32.63 3.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 540' ' ' LEU . 3.3 mm? -58.94 -42.54 90.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 30.8 t -66.43 169.65 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -59.33 -54.47 46.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 38.2 m -49.73 -64.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 60.47 -156.85 30.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 145.33 56.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 53.6 p -68.34 165.29 18.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 91.6 p -117.88 134.6 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 16.6 m -115.8 87.75 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 18.7 m -43.96 105.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 171.22 61.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 5.0 t -38.12 -63.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 52.1 m -82.21 144.61 30.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 141.68 130.62 2.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.68 137.9 48.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 20.5 tp -54.73 100.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 18.0 mt -94.44 -56.62 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -62.92 162.79 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -116.98 108.31 15.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -115.07 104.87 12.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 505' ' ' ALA . 15.6 mt-10 -43.69 122.52 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 8.0 t -103.48 107.73 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.5 t -84.04 20.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 45.8 t -108.72 100.67 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.428 ' SD ' ' C ' ' A' ' 447' ' ' MET . 8.6 tmm? -96.39 133.61 40.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.5 p -120.08 137.85 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 16.9 mt -107.67 145.35 33.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -133.54 148.86 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.9 t30 56.43 35.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 8.1 ttt -93.46 -49.3 5.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.4 m -142.2 133.8 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.26 158.75 26.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.54 0.686 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -92.03 -38.55 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.3 mm -37.0 113.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.81 156.71 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.47 -27.68 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.36 -40.81 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 463' ' ' GLU . 18.2 tp -58.66 -57.54 12.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.5 tt0 -36.68 -57.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.63 94.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.62 -47.3 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.89 -44.44 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.5 m -56.96 -32.61 66.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -80.61 -36.93 32.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.69 -23.76 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 85.3 m -84.43 -2.54 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -77.81 -25.17 63.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 472' ' ' LYS . 3.0 mmtp -59.6 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 45.6 m-85 -47.92 -45.85 31.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.29 -129.26 1.48 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -101.11 112.18 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 477' ' ' ASN . 47.8 t -69.73 138.43 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' ASN . . . . . 0.416 ' N ' HG13 ' A' ' 476' ' ' VAL . 8.0 t-20 -102.39 -62.0 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -146.33 157.44 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.09 113.85 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 17.7 mt -130.05 125.18 59.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 78.3 mt -104.69 98.45 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -98.13 132.0 44.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.87 129.31 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -144.43 159.18 43.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . 0.432 ' HD3' ' CD1' ' A' ' 494' ' ' ILE . 11.5 ttpt -85.6 145.17 27.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -99.13 23.32 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 177.3 124.63 0.85 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.29 -37.29 10.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -53.04 132.07 37.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.89 -33.4 70.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -65.45 -26.73 68.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -49.42 136.25 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -72.14 145.37 48.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' ILE . . . . . 0.432 ' CD1' ' HD3' ' A' ' 485' ' ' LYS . 13.6 mm -97.42 115.62 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.434 ' CD1' ' C ' ' A' ' 495' ' ' ILE . 2.1 pp -91.85 168.02 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 93.6 t -139.49 117.53 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -101.06 118.81 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.28 119.14 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.95 124.06 43.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.66 104.62 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -100.7 134.46 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -104.88 170.89 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 44.5 t -58.21 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 28.6 pt -119.71 155.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 443' ' ' GLU . . . -59.68 -38.82 82.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 43.0 t -48.67 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -44.52 -44.9 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.3 m -56.98 -61.66 2.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -42.34 -44.53 3.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -57.36 -55.03 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -49.58 -38.19 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.2 mt -68.83 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -44.43 -24.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.79 -45.15 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.54 31.45 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -89.83 -3.54 58.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.29 29.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -66.26 158.39 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -117.5 100.4 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 522' ' ' GLY . 18.6 t80 -76.9 159.43 30.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -47.62 89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 69.74 28.96 71.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -156.22 123.78 5.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -80.24 118.9 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 94.8 t -84.94 157.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 19.9 t -149.01 116.12 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -98.46 139.96 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -143.14 159.45 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 7.0 p -94.63 117.16 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -73.15 178.84 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -100.91 96.43 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.03 -33.34 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -46.23 -36.04 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -101.83 -20.7 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -57.57 -16.84 11.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.14 -56.61 13.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -77.44 123.02 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 35.2 t -83.1 42.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -99.13 78.54 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.52 -62.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 58.4 p -50.63 -42.29 56.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -128.31 110.55 12.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 46.3 t -43.1 132.03 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 51.41 -157.68 2.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 122.82 9.49 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.306 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 m -44.84 -65.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 23.3 t -73.55 105.33 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.918 0.389 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.622 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.3 t -109.23 28.04 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.597 HG22 ' OE1' ' A' ' 501' ' ' GLU . 61.9 t -122.01 107.04 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.53 ' CE ' HD21 ' A' ' 449' ' ' LEU . 46.6 ttp -92.96 143.06 26.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 448' ' ' VAL . 9.3 p -118.97 111.8 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.53 HD21 ' CE ' ' A' ' 447' ' ' MET . 19.9 mt -88.38 140.84 29.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 450' ' ' ARG . 7.3 mtp-105 -134.59 155.07 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 26.2 t30 62.16 26.26 15.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 498' ' ' ILE . 11.1 ttt -73.32 -68.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.15 139.94 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.71 160.14 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' PRO . . . . . 0.434 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.8 Cg_endo -69.78 2.01 3.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -90.31 -39.87 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.11 -22.59 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.513 HD13 ' CD2' ' A' ' 462' ' ' LEU . 46.1 mm -47.57 108.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -138.34 165.93 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -56.27 -16.35 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -84.6 -42.88 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.513 ' CD2' HD13 ' A' ' 458' ' ' ILE . 20.3 tp -43.56 -62.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 462' ' ' LEU . 18.7 tt0 -36.57 -57.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.05 -45.34 93.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.06 -33.5 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 21.2 m -66.42 -48.91 68.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -68.46 -30.11 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.45 -36.45 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 57.7 m -76.51 -30.18 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.91 -27.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.48 -55.38 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' A' ' 515' ' ' LEU . 27.0 m-85 -52.31 -59.11 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -164.63 -159.2 10.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.28 109.95 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.34 117.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.12 -53.38 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -167.29 160.53 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 84.4 t -130.23 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 20.4 mt -131.74 125.52 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 65.7 mt -105.8 113.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -120.8 125.87 48.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -136.99 149.52 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -167.51 174.84 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.582 ' O ' HD13 ' A' ' 494' ' ' ILE . 20.9 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.859 0.361 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 493' ' ' GLU . 11.5 mm -124.78 119.31 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.699 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.9 pp -92.47 168.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 75.3 t -136.94 120.56 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -107.1 109.66 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 498' ' ' ILE . . . . . 0.505 HD13 ' SD ' ' A' ' 452' ' ' MET . 59.5 mt -102.11 110.96 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.77 128.09 42.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.429 HG12 ' CE1' ' A' ' 502' ' ' PHE . 41.0 t -122.6 104.63 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.622 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.1 tp10 -89.98 129.35 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 500' ' ' VAL . 46.1 m-85 -104.72 -176.93 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 35.1 t -82.2 -34.41 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 162.23 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.75 70.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.6 t -46.69 -58.11 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -50.91 -51.11 55.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 98.3 m -53.4 -45.97 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.53 -41.19 76.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -61.18 -57.83 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.403 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -51.43 -35.47 39.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 516' ' ' ASN . 97.2 mt -73.51 -52.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.74 -24.73 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -94.73 -63.53 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 9.8 mt -60.6 -9.83 4.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 1.0 OUTLIER -59.57 -10.7 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.13 36.15 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.404 ' HG3' HD23 ' A' ' 515' ' ' LEU . 1.7 mmp_? -76.6 162.01 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -106.45 117.13 33.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.813 ' HB2' HG23 ' A' ' 525' ' ' VAL . 34.8 t80 -87.37 157.85 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.4 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.89 84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.31 21.09 65.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -154.61 171.18 19.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -108.45 140.29 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 520' ' ' PHE . 43.1 t -108.58 145.24 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.79 111.37 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.5 116.06 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -111.77 165.07 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 1.9 p -94.46 128.41 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 24.4 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.954 0.406 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 t -116.27 7.42 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 17.4 t -100.06 132.24 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 45.0 ttp -121.72 158.68 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.635 HG13 ' HB2' ' A' ' 528' ' ' GLU . 2.3 p -131.94 123.0 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.529 HD21 HD13 ' A' ' 515' ' ' LEU . 51.6 mt -101.8 134.81 44.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -133.74 153.78 51.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 21.8 t30 60.31 47.47 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.418 ' HG2' HG13 ' A' ' 453' ' ' VAL . 8.0 ttt -113.17 -58.16 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 462' ' ' LEU . 13.4 m -138.54 119.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.79 160.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -0.85 7.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -90.75 -12.92 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -102.84 8.25 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.19 101.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.62 168.19 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.32 -42.41 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.79 96.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 453' ' ' VAL . 37.6 tp -43.03 -54.99 4.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.01 -58.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -52.86 -45.21 61.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.84 -58.92 5.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 62.3 t -53.21 -37.17 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.3 m -60.79 -49.5 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.02 -14.02 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -79.86 -38.45 32.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 71.9 m -75.99 -31.63 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -40.27 -33.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -51.89 -46.15 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 36.1 m-85 -59.93 -59.27 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.66 -152.94 7.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.46 110.0 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 70.1 t -68.2 147.73 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 477' ' ' ASN . . . . . 0.422 ' HB2' ' CA ' ' A' ' 502' ' ' PHE . 1.9 t-20 -108.23 -60.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -165.55 158.51 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.6 t -130.35 132.72 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 90.4 mt -124.64 126.9 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' ILE . . . . . 0.754 HG22 HE22 ' A' ' 483' ' ' GLN . 62.3 mt -100.98 104.97 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -109.99 123.49 49.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 483' ' ' GLN . . . . . 0.754 HE22 HG22 ' A' ' 481' ' ' ILE . 0.0 OUTLIER -131.35 127.24 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -163.52 145.11 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' LYS . . . . . 0.457 ' CA ' HD13 ' A' ' 494' ' ' ILE . 1.2 ttmp? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.457 HD13 ' CA ' ' A' ' 485' ' ' LYS . 17.5 mm -67.42 128.62 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.715 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.7 pp -95.95 166.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 496' ' ' VAL . . . . . 0.401 ' N ' HD12 ' A' ' 495' ' ' ILE . 96.3 t -128.43 100.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 448' ' ' VAL . 1.2 tppp? -97.42 110.6 23.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -98.99 131.38 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.17 126.51 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.37 112.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 51.1 tt0 -105.19 143.12 33.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 502' ' ' PHE . 4.0 m-85 -116.52 173.18 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.3 t -64.32 -48.99 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.517 HD11 ' HG2' ' A' ' 507' ' ' GLU . 13.8 pt -113.82 172.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -81.81 -30.68 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 3.1 t -54.24 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.517 ' HG2' HD11 ' A' ' 504' ' ' ILE . 22.1 mm-40 -45.06 -48.56 11.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 43.8 m -54.29 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.83 -42.04 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.44 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.678 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -40.99 -36.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.41 -58.04 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -44.86 -24.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -96.15 -56.34 2.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 511' ' ' ALA . 9.4 mt -63.64 -9.23 12.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -60.2 -11.52 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 27.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.464 ' HG3' HD23 ' A' ' 515' ' ' LEU . 13.7 mmt180 -64.38 160.17 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -108.41 119.25 38.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.654 ' HB2' HG23 ' A' ' 525' ' ' VAL . 30.0 t80 -89.63 158.03 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.497 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.85 85.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.73 15.14 78.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -147.62 171.2 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -107.57 146.18 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' A' ' 520' ' ' PHE . 79.5 t -113.66 147.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.83 122.5 38.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -108.8 148.24 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.635 ' HB2' HG13 ' A' ' 448' ' ' VAL . 17.0 mt-10 -150.29 157.51 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 529' ' ' VAL . 3.9 p -94.31 119.45 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 15.9 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.93 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.98 0.419 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.3 t -114.01 11.41 17.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.47 HG22 ' HG3' ' A' ' 501' ' ' GLU . 16.0 t -105.31 106.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.459 ' CE ' HD21 ' A' ' 449' ' ' LEU . 44.6 ttp -100.07 155.28 17.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 528' ' ' GLU . 7.1 p -131.43 130.95 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.459 HD21 ' CE ' ' A' ' 447' ' ' MET . 12.6 mt -103.57 140.77 37.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -139.69 140.78 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 28.6 t30 70.39 44.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 13.6 ttm -99.34 -53.17 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.474 HG21 HD21 ' A' ' 462' ' ' LEU . 3.5 m -149.32 142.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 160.75 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.703 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.281 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 457' ' ' ASP . 20.2 pttp -91.41 -36.59 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 456' ' ' LYS . 15.4 t0 -70.6 -28.62 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 457' ' ' ASP . 43.8 mm -36.52 123.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -150.9 152.6 33.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.97 -24.72 6.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 -33.63 44.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.474 HD21 HG21 ' A' ' 453' ' ' VAL . 32.8 tp -50.61 -58.39 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -39.16 -50.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.34 79.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -52.23 -50.74 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.53 -42.9 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 51.4 m -59.57 -45.21 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -72.4 -28.86 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.43 -35.44 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 471' ' ' GLY . 78.0 m -75.11 -36.97 61.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -37.67 -36.52 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -51.87 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.599 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 26.7 m-85 -57.83 -44.82 86.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.44 163.41 28.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -47.62 110.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.15 135.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -103.06 -55.84 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -145.99 151.54 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -142.86 116.1 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.36 132.58 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 79.7 mt -110.85 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -108.04 146.0 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.97 140.41 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -159.75 170.33 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.01 113.6 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.2 pp -85.2 171.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 90.0 t -134.97 109.78 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -99.13 115.02 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 49.7 mt -106.73 128.61 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -105.06 125.1 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 81.7 t -130.8 101.74 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.47 ' HG3' HG22 ' A' ' 446' ' ' VAL . 24.0 tt0 -102.72 141.88 34.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -113.02 179.76 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 22.4 t -68.58 -47.91 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.0 166.29 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.64 -34.37 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -48.92 -62.34 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.95 -50.51 26.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -42.59 -44.06 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.72 -61.64 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.599 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -42.76 -37.89 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 516' ' ' ASN . 25.9 mt -73.55 -50.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -49.27 -29.46 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.1 -54.75 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.69 -8.85 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 512' ' ' ILE . 0.7 OUTLIER -64.21 -7.12 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.94 33.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -69.82 154.5 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -107.29 114.19 28.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 522' ' ' GLY . 24.1 t80 -84.08 157.77 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.482 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -53.24 83.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.95 18.7 60.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -152.77 171.12 18.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -117.11 143.43 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 526' ' ' VAL . 90.4 t -112.09 156.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 526' ' ' VAL . . . . . 0.473 ' N ' HG12 ' A' ' 525' ' ' VAL . 67.6 t -141.27 108.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.34 148.84 28.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.578 ' HG3' HG12 ' A' ' 448' ' ' VAL . 7.9 pt-20 -153.61 170.97 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 529' ' ' VAL . 10.6 p -94.78 111.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 42.8 t80 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.9 t -95.25 21.57 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.25 112.23 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 56.1 ttp -100.94 155.87 17.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 448' ' ' VAL . 13.3 p -133.46 118.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 62.2 mt -93.21 127.39 38.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -121.31 151.51 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 55.76 45.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.4 ttt -93.94 -59.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.599 HG21 HD21 ' A' ' 462' ' ' LEU . 4.7 m -144.1 149.07 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.3 161.45 69.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' PRO . . . . . 0.423 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.6 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -90.95 -38.1 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 458' ' ' ILE . 7.9 t0 -72.52 -32.82 66.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 457' ' ' ASP . 46.4 mm -34.03 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -136.77 161.6 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.0 -41.79 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.599 HD21 HG21 ' A' ' 453' ' ' VAL . 32.5 tp -54.06 -58.62 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.2 tt0 -34.94 -53.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.76 98.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -50.39 -45.27 55.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.22 -35.85 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.7 m -61.39 -50.73 71.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.98 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -54.55 -37.18 65.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.506 ' SG ' HG11 ' A' ' 500' ' ' VAL . 34.9 m -73.22 -33.42 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -46.38 -41.83 12.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -43.91 -50.24 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 30.1 m-85 -58.75 -58.0 10.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.78 -174.35 36.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -62.87 109.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.364 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.93 136.4 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 477' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 5.0 t-20 -95.57 -54.84 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -165.47 157.82 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 97.2 t -133.16 137.84 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.86 138.78 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 52.4 mt -116.4 103.47 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -108.84 141.4 40.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -146.9 149.08 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -165.44 156.05 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.4 mm -109.53 130.34 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -103.32 162.72 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 97.6 t -140.14 134.54 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -126.5 109.71 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 81.3 mt -95.98 113.58 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -90.83 111.04 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.506 HG11 ' SG ' ' A' ' 470' ' ' CYS . 93.4 t -113.92 103.77 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 33.5 tt0 -98.88 137.35 37.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.425 ' CE1' HG12 ' A' ' 500' ' ' VAL . 96.3 m-85 -112.54 171.54 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.6 t -57.21 -51.66 68.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 506' ' ' SER . 16.2 pt -121.89 165.15 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.75 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' SER . . . . . 0.547 ' HB2' HD12 ' A' ' 504' ' ' ILE . 2.8 m -48.91 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -50.11 -42.0 49.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 10.8 m -59.71 -56.69 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -47.91 -41.99 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -58.62 -58.5 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.41 -46.04 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 516' ' ' ASN . 95.6 mt -59.96 -57.08 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -48.88 -30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -56.52 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 518' ' ' ARG . 23.8 mt -87.66 24.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 2.5 t30 -85.46 -1.0 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -171.17 34.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' A' ' 515' ' ' LEU . 6.9 mmp_? -80.63 154.07 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -100.64 111.81 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.617 ' HB2' HG23 ' A' ' 525' ' ' VAL . 21.1 t80 -85.25 157.89 20.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.95 98.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 64.91 29.85 76.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -162.97 166.09 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -111.36 143.17 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 520' ' ' PHE . 65.0 t -108.41 143.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 81.8 t -139.68 111.74 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.18 141.15 29.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -141.51 164.29 30.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 529' ' ' VAL . 14.5 p -106.57 111.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -93.72 13.55 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.715 HG22 ' HG3' ' A' ' 501' ' ' GLU . 63.3 t -110.96 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 35.8 ttp -98.07 152.32 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.874 HG21 ' HE3' ' A' ' 497' ' ' LYS . 9.5 p -128.24 128.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 515' ' ' LEU . 57.1 mt -105.97 132.35 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 450' ' ' ARG . 11.8 mtp-105 -127.75 140.12 52.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.6 t30 73.99 36.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.1 ttt -91.15 -56.7 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 462' ' ' LEU . 23.1 m -147.5 121.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.62 161.04 0.42 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' PRO . . . . . 0.459 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.5 Cg_endo -69.73 1.84 4.06 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -89.34 -29.6 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -92.4 16.47 11.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 21.0 mm -72.19 100.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.36 168.56 14.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.83 -39.97 91.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.07 -43.25 99.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 453' ' ' VAL . 26.9 tp -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 462' ' ' LEU . 14.1 tm-20 -34.88 -58.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -54.83 -45.81 78.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.45 -45.67 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.23 -44.36 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.8 m -57.31 -52.85 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 471' ' ' GLY . 13.1 mm-40 -58.07 -65.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -40.1 -46.8 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 86.1 m -58.93 -37.82 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 468' ' ' GLU . . . -40.01 -46.02 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -38.94 -55.0 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.854 0.359 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 511' ' ' ALA . 55.9 m-85 -51.84 -55.83 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -173.1 -136.37 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -98.91 110.78 23.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.93 129.73 36.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -85.44 -49.99 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 478' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.4 ptm85 -168.39 168.04 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.827 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 479' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 500' ' ' VAL . 69.8 t -142.22 145.44 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 73.8 mt -140.95 135.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 56.7 mt -110.64 107.87 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.74 139.33 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -144.61 161.12 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 484' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 485' ' ' LYS . 11.1 tt0 -168.23 152.72 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 485' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 494' ' ' ILE . 10.7 tttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 24.4 mm -121.82 108.95 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.6 pp -82.11 170.97 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 496' ' ' VAL . . . . . 0.431 ' N ' HD12 ' A' ' 495' ' ' ILE . 70.9 t -144.04 123.93 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 497' ' ' LYS . . . . . 0.874 ' HE3' HG21 ' A' ' 448' ' ' VAL . 15.9 tptt -110.14 109.69 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.02 117.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.96 124.68 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 479' ' ' VAL . 43.6 t -130.27 100.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.715 ' HG3' HG22 ' A' ' 446' ' ' VAL . 12.2 tt0 -98.64 136.69 38.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -105.6 -177.9 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.4 m -74.7 -39.11 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.6 pt -126.12 168.52 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.37 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 12.1 t -43.62 -66.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -42.36 -44.38 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -61.67 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -40.51 -39.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -64.32 -58.65 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 473' ' ' PHE . . . -47.3 -35.32 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 75.1 mt -75.82 -45.3 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -51.14 -35.96 38.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.93 -59.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.592 HD13 HD21 ' A' ' 449' ' ' LEU . 44.9 mt -54.97 -21.16 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -47.61 -19.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -158.59 33.38 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.95 159.65 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -110.24 113.16 25.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.567 ' HB2' HG23 ' A' ' 525' ' ' VAL . 23.9 t80 -84.45 158.13 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.6 85.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.32 17.0 70.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.43 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -150.51 171.15 17.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -114.99 140.01 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 520' ' ' PHE . 75.9 t -108.88 149.43 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.24 108.95 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' ' 515' ' ' LEU . . . -96.02 133.62 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -140.15 174.76 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.39 112.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 23.0 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.973 0.416 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.0 t -116.16 8.63 14.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 30.3 t -105.0 127.05 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 449' ' ' LEU . 39.0 ttp -121.33 161.55 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.479 ' N ' ' HG2' ' A' ' 447' ' ' MET . 1.5 p -132.75 124.29 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.495 HD21 ' SD ' ' A' ' 447' ' ' MET . 22.7 mt -105.36 126.12 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -124.48 151.2 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.5 t30 66.56 31.19 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 3.5 ttt -83.04 -59.32 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.433 HG21 HD21 ' A' ' 462' ' ' LEU . 23.4 m -147.19 147.96 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.38 160.11 44.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -1.33 8.23 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -93.47 -6.51 46.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.63 4.07 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.01 112.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -148.11 149.45 32.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -30.53 2.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.5 -43.69 63.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.433 HD21 HG21 ' A' ' 453' ' ' VAL . 34.2 tp -48.52 -51.2 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -41.58 -55.52 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.31 -42.32 99.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -51.11 -51.83 49.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.98 -44.26 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 467' ' ' THR . . . . . 0.711 HG23 HG11 ' A' ' 476' ' ' VAL . 28.4 m -57.15 -41.75 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -64.49 -50.57 66.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.38 -48.2 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 97.2 m -59.34 -33.72 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.08 -33.59 3.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -48.5 66.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.502 ' CE1' ' HA ' ' A' ' 511' ' ' ALA . 38.4 m-85 -60.26 -54.01 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 474' ' ' GLY . . . . . 0.403 ' HA3' ' CD ' ' A' ' 507' ' ' GLU . . . -170.4 -141.92 3.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -93.18 116.43 29.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.711 HG11 HG23 ' A' ' 467' ' ' THR . 98.4 t -72.88 120.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.69 -56.94 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -163.41 158.13 20.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.49 144.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.0 141.37 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.0 105.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.53 129.58 56.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -138.2 152.62 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -172.26 160.26 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 47.2 mm -113.78 111.59 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.727 HD12 ' C ' ' A' ' 495' ' ' ILE . 1.8 pp -80.23 163.45 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 72.7 t -140.4 115.36 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -103.85 114.47 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.08 109.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -88.46 124.49 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.4 108.86 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -106.56 137.3 44.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -107.34 171.37 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 42.7 t -59.8 -48.73 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 507' ' ' GLU . 7.3 pt -115.82 173.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -78.54 -44.66 23.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 8.4 t -45.72 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 504' ' ' ILE . 10.7 mm-40 -44.24 -53.35 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 4.0 m -53.37 -58.86 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -42.68 -40.44 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.37 -54.21 32.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.502 ' HA ' ' CE1' ' A' ' 473' ' ' PHE . . . -49.69 -40.46 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.5 mt -68.09 -52.59 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -47.18 -36.76 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.61 -55.38 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.668 HD23 ' HG3' ' A' ' 518' ' ' ARG . 68.8 mt -69.36 -1.28 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 512' ' ' ILE . 1.4 t-20 -68.81 -10.28 55.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 17.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.668 ' HG3' HD23 ' A' ' 515' ' ' LEU . 10.8 mmm180 -56.96 158.47 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -113.91 109.48 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 34.1 t80 -79.24 158.2 27.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.431 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.95 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 75.4 13.65 82.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -147.71 170.61 17.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -112.11 148.07 34.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 151.27 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 20.6 t -141.32 118.47 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.93 129.13 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -135.61 170.44 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.94 107.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.5 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 t -97.54 26.99 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.82 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.634 ' HB2' HG23 ' A' ' 508' ' ' THR . 53.3 ttp -96.48 153.24 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 528' ' ' GLU . 9.9 p -137.14 137.68 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.584 HD13 ' SD ' ' A' ' 452' ' ' MET . 85.0 mt -114.05 135.74 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ARG . . . . . 0.488 ' CZ ' ' OE2' ' A' ' 528' ' ' GLU . 44.1 mtm180 -128.61 143.71 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 29.62 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.584 ' SD ' HD13 ' A' ' 449' ' ' LEU . 5.1 ttp -86.36 -64.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 462' ' ' LEU . 14.4 m -139.75 132.15 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 454' ' ' ASP . . . . . 0.43 ' OD2' ' NH2' ' A' ' 523' ' ' ARG . 2.2 m-20 -62.02 159.67 35.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.618 0.723 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.63 4.22 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -87.85 -19.39 27.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -100.73 13.42 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.16 102.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -130.9 168.22 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.04 -31.67 62.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.13 -39.25 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 453' ' ' VAL . 28.5 tp -49.14 -55.23 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -40.78 -54.24 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.28 -46.87 93.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -53.23 -53.92 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.06 -36.67 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 23.4 m -63.87 -46.88 82.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.23 -23.87 63.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.62 -46.89 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.479 ' SG ' HG11 ' A' ' 500' ' ' VAL . 99.6 m -63.83 -45.48 89.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.543 ' HA2' HG23 ' A' ' 476' ' ' VAL . . . -34.75 -39.24 0.15 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -45.65 -50.22 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 24.2 m-85 -62.42 -45.08 94.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -177.51 -178.77 47.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.543 HG23 ' HA2' ' A' ' 471' ' ' GLY . 84.5 t -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -83.66 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 478' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 478' ' ' ARG . 1.4 ptp180 -153.52 164.94 37.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 47.4 t -143.64 126.95 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.07 136.35 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.2 mt -113.9 96.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -101.69 153.37 19.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.02 136.04 24.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.81 163.18 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 6.6 mm -96.19 137.6 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.474 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.9 pp -123.27 167.55 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 86.3 t -128.89 123.7 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -98.71 116.03 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.61 122.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.83 134.69 47.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.682 HG12 ' CE1' ' A' ' 502' ' ' PHE . 98.4 t -137.14 108.35 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -104.65 140.5 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.682 ' CE1' HG12 ' A' ' 500' ' ' VAL . 7.8 m-85 -114.8 179.81 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 92.9 p -68.44 -41.54 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.721 HD11 ' HG2' ' A' ' 507' ' ' GLU . 6.7 pt -121.64 173.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.96 -34.37 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.2 t -49.13 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.721 ' HG2' HD11 ' A' ' 504' ' ' ILE . 5.2 mm-40 -46.21 -45.46 16.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.634 HG23 ' HB2' ' A' ' 447' ' ' MET . 81.9 m -55.25 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -44.28 -45.27 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -59.51 -54.44 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.546 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.69 -46.36 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 516' ' ' ASN . 66.9 mt -63.77 -54.1 36.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -49.88 -27.33 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -86.92 -52.42 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.777 HD23 ' HG3' ' A' ' 518' ' ' ARG . 43.1 mt -89.17 19.94 4.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.6 t30 -79.11 -5.9 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -164.78 23.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.777 ' HG3' HD23 ' A' ' 515' ' ' LEU . 9.4 mmt180 -64.53 159.89 20.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -108.63 120.76 43.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 28.1 t80 -92.19 158.46 16.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.536 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.95 86.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.44 13.38 81.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 523' ' ' ARG . . . . . 0.43 ' NH2' ' OD2' ' A' ' 454' ' ' ASP . 66.0 mtt180 -145.84 171.4 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -117.39 140.03 50.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 520' ' ' PHE . 90.3 t -105.47 143.59 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 526' ' ' VAL . . . . . 0.48 HG12 HH21 ' A' ' 450' ' ' ARG . 90.5 t -137.27 107.36 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.61 144.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.499 ' O ' HG12 ' A' ' 448' ' ' VAL . 5.1 pt-20 -159.29 170.72 21.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.37 120.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.958 0.409 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.902 HG23 ' OE1' ' A' ' 501' ' ' GLU . 11.4 t -109.86 16.09 22.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.488 HG22 ' OE1' ' A' ' 501' ' ' GLU . 59.3 t -118.28 125.85 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.469 ' SD ' ' CD2' ' A' ' 449' ' ' LEU . 8.8 tmm? -119.18 132.69 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.48 137.7 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.469 ' CD2' ' SD ' ' A' ' 447' ' ' MET . 19.8 mt -112.23 130.38 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -124.86 144.05 50.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.0 t30 71.48 36.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 14.2 ttt -89.48 -66.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.679 HG21 HD21 ' A' ' 462' ' ' LEU . 3.6 m -144.23 131.6 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.09 158.52 1.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -0.94 7.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -87.98 -22.75 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.88 4.41 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 28.4 mm -58.53 107.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -137.22 166.73 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.71 -11.55 60.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -87.5 -35.86 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.679 HD21 HG21 ' A' ' 453' ' ' VAL . 17.5 tp -50.42 -63.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' LEU . 7.3 tt0 -34.64 -58.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -53.18 -44.72 64.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -53.88 -60.71 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.77 -32.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 48.3 m -67.34 -52.03 45.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.38 -17.1 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -82.45 -40.24 21.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.439 ' SG ' HG11 ' A' ' 500' ' ' VAL . 28.9 m -73.73 -22.75 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -49.22 -40.33 29.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.435 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -46.54 -47.84 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -61.41 -55.48 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.29 -165.87 29.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -72.96 109.06 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.88 120.05 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.73 -52.65 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 478' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 478' ' ' ARG . 4.2 ptm85 -167.39 165.14 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 479' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 499' ' ' PHE . 64.8 t -138.48 142.06 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 45.5 mt -132.09 132.44 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.12 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -108.62 137.85 45.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -141.32 156.78 45.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -174.88 165.1 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 18.8 mm -108.46 118.32 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.799 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.2 pp -82.63 172.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 496' ' ' VAL . . . . . 0.643 ' N ' HD12 ' A' ' 495' ' ' ILE . 88.8 t -151.7 107.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 497' ' ' LYS . . . . . 0.47 ' HG3' HD13 ' A' ' 495' ' ' ILE . 40.9 mttp -98.75 112.16 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 65.2 mt -97.3 113.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' A' ' 530' ' ' TYR . 47.0 m-85 -94.76 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.439 HG11 ' SG ' ' A' ' 470' ' ' CYS . 83.2 t -133.27 104.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.902 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.9 tp10 -93.44 133.02 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -110.6 176.61 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -46.81 70.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.9 pt -123.08 165.73 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -70.53 -38.0 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 23.2 t -50.22 -62.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -45.69 -43.92 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 27.2 m -62.71 -59.62 4.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -40.85 -40.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -67.16 -58.77 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -43.45 -37.52 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 529' ' ' VAL . 68.7 mt -74.27 -43.62 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.59 -27.6 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -97.22 -53.78 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.63 HD23 ' HG3' ' A' ' 518' ' ' ARG . 29.4 mt -66.2 -4.49 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 0.9 OUTLIER -68.19 -8.5 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.82 19.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.63 ' HG3' HD23 ' A' ' 515' ' ' LEU . 13.0 mmt85 -56.85 157.84 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -109.79 120.71 43.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 522' ' ' GLY . 29.6 t80 -90.66 157.96 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.484 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.37 85.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.95 12.98 78.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -145.28 171.16 14.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.33 143.95 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 526' ' ' VAL . 16.6 t -109.04 156.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 526' ' ' VAL . . . . . 0.426 ' N ' HG12 ' A' ' 525' ' ' VAL . 86.4 t -143.74 105.09 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 527' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 515' ' ' LEU . . . -98.01 127.77 44.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 4.4 tt0 -124.23 163.98 20.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.837 HG22 HD13 ' A' ' 512' ' ' ILE . 25.1 t -90.05 115.08 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' A' ' 499' ' ' PHE . 25.7 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 501' ' ' GLU . 14.7 t -107.88 18.74 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.0 106.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -95.04 139.66 31.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.18 140.91 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 20.6 mt -115.93 141.01 48.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -132.64 167.85 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.9 t30 41.2 39.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.525 ' SD ' HD12 ' A' ' 498' ' ' ILE . 14.0 ttt -92.86 -58.2 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.438 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 4.9 m -142.99 144.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.26 159.99 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' PRO . . . . . 0.402 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.9 Cg_endo -69.79 -3.38 11.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -87.25 -38.38 16.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 458' ' ' ILE . 19.8 t70 -65.92 -30.61 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 457' ' ' ASP . 29.8 mm -36.61 118.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -158.99 167.69 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.61 -33.83 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.6 tp -53.35 -55.84 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 462' ' ' LEU . 15.0 tt0 -34.86 -54.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.31 -44.64 95.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.33 -47.22 72.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.03 -40.5 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.5 m -56.09 -42.83 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.0 -50.71 46.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -46.95 -48.29 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.451 ' SG ' HG11 ' A' ' 500' ' ' VAL . 59.0 m -65.99 -28.9 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.15 -29.91 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 23.2 m-85 -48.45 -62.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -162.89 -162.96 14.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.439 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -76.92 111.8 12.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.64 121.86 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -89.74 -59.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -137.54 151.31 48.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.86 113.71 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 22.0 mt -128.53 141.69 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.27 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -94.53 152.1 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -143.22 139.93 30.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 484' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 3.9 tp10 -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 485' ' ' LYS . . . . . 0.635 ' HG3' HD13 ' A' ' 494' ' ' ILE . 21.5 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.635 HD13 ' HG3' ' A' ' 485' ' ' LYS . 18.2 mm -93.99 98.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.764 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.8 pp -82.65 166.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 98.3 t -129.94 125.43 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -105.37 112.28 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 498' ' ' ILE . . . . . 0.525 HD12 ' SD ' ' A' ' 452' ' ' MET . 77.5 mt -97.97 116.28 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -96.78 118.27 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.451 HG11 ' SG ' ' A' ' 470' ' ' CYS . 75.1 t -122.21 103.26 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 445' ' ' THR . 44.2 tt0 -94.57 144.83 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -115.77 166.78 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 33.4 p -56.52 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.5 pt -121.22 164.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.67 -46.78 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 11.0 t -44.18 -54.53 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -43.39 70.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 96.4 m -56.1 -54.98 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -51.11 -46.47 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -54.17 -58.24 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.81 -42.07 25.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.06 -51.39 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -55.49 -27.29 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.73 -49.25 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.493 HD23 ' HG3' ' A' ' 518' ' ' ARG . 11.0 mt -91.77 22.95 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 1.5 t-20 -86.43 -1.66 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -169.25 24.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.493 ' HG3' HD23 ' A' ' 515' ' ' LEU . 11.7 mmt180 -65.83 158.58 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -105.66 120.85 42.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.581 ' HB2' HG23 ' A' ' 525' ' ' VAL . 28.2 t80 -91.73 158.26 16.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.425 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.72 89.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.27 11.3 85.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -143.93 171.35 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -116.57 135.36 53.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 520' ' ' PHE . 85.3 t -99.12 150.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 19.7 t -140.01 117.84 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 528' ' ' GLU . . . -100.96 160.43 14.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 527' ' ' ALA . 30.4 mt-10 -164.49 171.54 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 529' ' ' VAL . 8.0 p -106.81 116.73 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 29.0 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.97 0.414 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.759 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.4 t -111.37 13.14 21.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 42.1 t -110.95 129.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 33.4 ttp -121.08 139.26 53.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 528' ' ' GLU . 7.8 p -114.17 128.91 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.07 135.47 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 451' ' ' ASN . 76.2 mtp180 -130.16 175.82 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 450' ' ' ARG . 1.2 t30 37.38 43.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 5.0 ttt -99.78 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.439 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.6 m -140.4 133.34 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.29 159.31 4.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -1.9 9.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -89.93 -35.03 15.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.33 11.59 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.41 108.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -133.55 153.36 51.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 460' ' ' ASP . 0.0 OUTLIER -46.45 -31.89 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -43.74 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 18.4 tp -43.4 -61.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -39.18 -52.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.75 89.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -51.35 -47.66 62.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.17 -45.34 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 74.6 m -55.75 -44.57 77.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.93 -51.46 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -56.19 -31.42 63.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.517 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 93.7 m -76.88 -27.96 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -54.18 -35.15 54.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.43 -47.07 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 470' ' ' CYS . 24.6 m-85 -58.23 -54.58 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -169.18 -134.51 1.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -105.08 111.39 24.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.39 125.87 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.83 -52.75 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -157.14 171.22 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.0 t -146.0 141.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 14.6 mt -121.97 138.67 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 90.4 mt -113.64 92.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -93.15 122.58 35.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -146.39 106.89 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 484' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 5.2 tp10 -153.91 158.67 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 485' ' ' LYS . . . . . 0.607 ' HE3' HD11 ' A' ' 494' ' ' ILE . 17.7 ttmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 3.5 tp10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.607 HD11 ' HE3' ' A' ' 485' ' ' LYS . 22.2 mm -88.5 125.31 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.74 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -101.36 174.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 96.5 t -148.65 116.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -110.03 114.11 27.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.6 mt -97.07 112.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -96.79 130.73 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 97.4 t -124.47 108.22 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.759 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.3 tp10 -95.47 134.66 38.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -111.85 -178.7 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 21.2 t -73.42 -49.52 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.459 HD11 ' HG2' ' A' ' 507' ' ' GLU . 23.3 pt -113.96 172.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -78.49 -42.5 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 504' ' ' ILE . 3.3 mm-40 -44.05 -49.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 23.7 m -56.19 -53.18 60.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -47.12 -43.24 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -61.62 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -43.3 -35.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.9 mt -75.39 -54.59 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -45.61 -28.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -93.62 -61.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.61 -10.41 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 512' ' ' ILE . 25.7 t30 -72.93 -0.01 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.78 25.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -70.03 153.03 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -102.91 115.04 29.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.596 ' HB2' HG23 ' A' ' 525' ' ' VAL . 15.8 t80 -85.38 157.86 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.91 85.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.06 21.82 64.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -155.36 171.12 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -111.86 141.62 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.596 HG23 ' HB2' ' A' ' 520' ' ' PHE . 93.5 t -107.77 155.1 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 526' ' ' VAL . . . . . 0.459 ' N ' HG12 ' A' ' 525' ' ' VAL . 63.6 t -143.18 125.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -117.42 125.26 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 21.3 tt0 -110.07 167.09 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 529' ' ' VAL . 12.0 p -102.74 112.02 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.786 HG23 ' OE1' ' A' ' 501' ' ' GLU . 6.0 t -120.7 11.69 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.438 HG22 ' CD ' ' A' ' 501' ' ' GLU . 95.0 t -111.26 106.94 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.419 ' HG2' ' N ' ' A' ' 448' ' ' VAL . 36.1 ttp -101.04 154.12 18.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 447' ' ' MET . 4.2 p -125.85 135.0 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 25.1 mt -110.65 136.89 49.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -129.36 146.89 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 64.24 45.39 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.403 ' O ' HG13 ' A' ' 453' ' ' VAL . 13.2 ttt -88.39 -53.22 4.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.615 ' CG1' ' CZ ' ' A' ' 520' ' ' PHE . 2.4 m -155.0 147.45 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 454' ' ' ASP . . . . . 0.467 ' CG ' ' HD2' ' A' ' 455' ' ' PRO . 2.0 t70 -42.07 143.19 1.04 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 454' ' ' ASP . 53.4 Cg_endo -69.75 5.35 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -105.86 -20.65 13.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.76 -11.28 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.5 mm -53.01 117.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -140.83 161.95 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -41.86 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.65 -36.23 73.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.0 tp -47.82 -58.64 4.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 462' ' ' LEU . 20.4 tt0 -37.42 -51.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.44 -46.42 94.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.45 -40.73 68.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.41 -43.46 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 99.4 m -54.63 -43.11 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.98 -40.38 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.43 -33.95 73.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.602 ' SG ' HG11 ' A' ' 500' ' ' VAL . 68.6 m -87.3 -28.16 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.51 -39.64 5.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.07 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 470' ' ' CYS . 12.0 m-85 -38.8 -53.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -172.94 -170.65 36.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.36 114.4 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 470' ' ' CYS . 67.6 t -80.59 126.11 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -76.76 -48.91 17.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -172.46 173.69 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.8 t -146.24 124.82 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 44.0 mt -113.36 122.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.48 110.86 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -119.59 134.78 55.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -143.57 130.75 20.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -160.46 136.71 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 485' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 494' ' ' ILE . 5.4 ttmm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 4.2 tp10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.32 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.544 HD13 ' HG3' ' A' ' 485' ' ' LYS . 24.7 mm -95.56 128.18 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.715 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -94.86 166.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 496' ' ' VAL . . . . . 0.46 ' N ' HD12 ' A' ' 495' ' ' ILE . 91.5 t -140.24 113.47 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 497' ' ' LYS . . . . . 0.413 ' HG3' HD13 ' A' ' 495' ' ' ILE . 43.8 mttp -109.86 116.93 32.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 69.1 mt -103.77 127.3 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.64 126.28 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.793 HG12 ' CE1' ' A' ' 502' ' ' PHE . 45.8 t -121.82 101.7 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.786 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.7 tp10 -96.09 129.32 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.793 ' CE1' HG12 ' A' ' 500' ' ' VAL . 48.2 m-85 -109.62 -177.68 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -41.28 29.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 21.8 pt -128.26 159.98 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.5 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.4 t -47.28 -64.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -44.29 -46.18 9.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.603 HG22 HD11 ' A' ' 512' ' ' ILE . 19.5 m -61.72 -51.55 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -45.69 -47.88 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.75 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.551 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -39.98 -36.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 508' ' ' THR . 62.8 mt -75.33 -57.01 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -42.39 -29.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.43 -58.56 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 511' ' ' ALA . 14.6 mt -57.7 -11.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -60.35 -11.32 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -156.88 16.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.428 ' CG ' ' HA ' ' A' ' 515' ' ' LEU . 14.0 mmt180 -55.69 153.31 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -108.28 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.615 ' CZ ' ' CG1' ' A' ' 453' ' ' VAL . 42.3 t80 -87.7 158.13 18.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.06 84.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 81.01 20.38 65.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -151.51 166.82 29.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -106.4 146.43 30.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 43.1 t -115.3 142.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 42.9 t -135.77 118.28 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 527' ' ' ALA . . . . . 0.414 ' C ' ' HG2' ' A' ' 528' ' ' GLU . . . -105.7 140.48 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 448' ' ' VAL . 5.4 mm-40 -145.45 158.73 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 39.2 t -84.78 125.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 33.8 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.5 t -98.55 13.07 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.92 115.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -105.54 151.77 23.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 528' ' ' GLU . 7.5 p -129.6 133.64 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 43.7 mt -103.43 140.37 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -130.93 158.11 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.1 t30 51.07 31.2 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.3 ttt -76.2 -69.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.58 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.2 m -142.03 131.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -51.04 158.55 1.18 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' PRO . . . . . 0.408 ' C ' HG12 ' A' ' 458' ' ' ILE . 53.7 Cg_endo -69.76 2.36 3.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -87.68 -32.18 19.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.82 17.36 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.408 HG12 ' C ' ' A' ' 455' ' ' PRO . 20.4 mm -70.25 114.49 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.415 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 58.7 m-20 -143.34 158.92 43.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -34.71 68.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.415 ' OD1' ' CB ' ' A' ' 459' ' ' ASP . 5.8 p-10 -63.26 -41.66 99.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 463' ' ' GLU . 32.1 tp -39.44 -59.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' LEU . 27.1 tt0 -36.26 -48.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.52 95.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 462' ' ' LEU . 27.7 mt-10 -57.68 -37.54 73.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.33 -39.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 80.9 m -64.56 -49.54 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.41 -48.69 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.74 -44.1 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.524 ' SG ' HG11 ' A' ' 500' ' ' VAL . 74.0 m -72.04 -31.55 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -50.67 -42.43 44.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -43.85 -56.53 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 28.1 m-85 -50.79 -55.52 16.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -165.6 -160.91 13.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.18 112.82 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.32 139.33 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.63 -51.98 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -147.13 151.69 37.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.93 116.32 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.1 mt -134.76 139.67 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 50.7 mt -122.0 108.24 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -110.55 149.52 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -144.62 147.06 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -161.73 164.78 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.7 mm -115.91 106.74 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.678 HD12 ' C ' ' A' ' 495' ' ' ILE . 2.3 pp -85.02 176.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 92.5 t -146.69 112.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -95.96 117.02 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.83 117.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -94.49 139.12 31.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.524 HG11 ' SG ' ' A' ' 470' ' ' CYS . 70.4 t -142.34 106.14 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -95.69 138.38 33.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.84 165.76 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 60.4 p -56.77 -43.66 81.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.4 pt -126.62 171.44 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.99 -41.78 63.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 9.9 t -47.78 -66.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -42.59 -42.98 3.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 8.9 m -57.31 -68.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -39.74 -39.88 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -61.44 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.538 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -45.39 -41.9 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.76 -62.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -45.58 -29.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.97 -49.71 9.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.13 28.89 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -89.77 -4.33 57.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.99 23.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -65.79 157.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -106.26 119.91 40.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.58 ' CZ ' HG12 ' A' ' 453' ' ' VAL . 33.4 t80 -89.55 157.96 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.93 83.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.69 15.98 66.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -149.56 171.19 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -118.26 135.26 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 520' ' ' PHE . 90.9 t -100.73 148.81 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 22.2 t -141.02 108.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.28 147.35 23.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.41 ' HG3' ' CG1' ' A' ' 448' ' ' VAL . 19.3 pt-20 -162.81 177.26 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 64.8 t -94.72 132.13 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.4 t -92.68 16.14 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 69.0 t -103.79 112.6 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.609 ' HB2' HG23 ' A' ' 508' ' ' THR . 38.4 ttp -99.34 159.88 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.729 HG13 ' OE2' ' A' ' 528' ' ' GLU . 2.5 p -137.62 129.74 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 45.1 mt -108.55 127.69 54.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ARG . . . . . 0.444 ' NE ' HG11 ' A' ' 526' ' ' VAL . 1.5 ptm180 -132.0 146.11 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 524' ' ' LYS . 48.1 t30 74.0 24.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 6.1 ttt -89.27 -59.44 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.419 HG21 HD21 ' A' ' 462' ' ' LEU . 11.0 m -139.46 157.31 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -82.99 161.39 58.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' PRO . . . . . 0.469 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.3 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -90.9 -38.73 12.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.7 -20.23 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 44.5 mm -48.16 124.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -163.96 166.97 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.9 -23.33 18.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.78 -43.45 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 453' ' ' VAL . 25.1 tp -58.74 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -37.72 -49.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.48 -46.92 65.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.79 -46.44 67.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.31 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 31.2 m -52.91 -50.39 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -68.0 -51.83 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.39 -40.01 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.414 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 80.5 m -74.87 -37.58 62.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.52 -26.72 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -60.29 -54.53 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.507 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 38.5 m-85 -49.68 -43.98 47.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -179.34 -137.7 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -97.6 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.3 t -78.66 117.53 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -75.92 -52.97 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 478' ' ' ARG . . . . . 0.864 ' CZ ' HD11 ' A' ' 480' ' ' ILE . 9.3 ptm180 -164.02 158.69 19.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 77.7 t -126.03 147.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 480' ' ' ILE . . . . . 0.864 HD11 ' CZ ' ' A' ' 478' ' ' ARG . 70.2 mt -144.23 137.3 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 47.7 mt -117.33 106.52 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.62 139.45 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.31 123.62 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -134.51 153.14 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.318 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.32 139.08 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.748 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.0 pp -106.32 176.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 93.0 t -152.33 106.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -101.74 110.08 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.37 109.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -88.22 128.96 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.487 HG12 ' CE1' ' A' ' 502' ' ' PHE . 68.8 t -125.61 100.2 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.2 tp10 -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.487 ' CE1' HG12 ' A' ' 500' ' ' VAL . 42.7 m-85 -105.0 -178.78 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.4 t -76.64 -39.54 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 12.1 pt -128.23 148.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.51 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 28.1 t -51.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -44.75 -44.12 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 447' ' ' MET . 38.5 m -57.62 -58.55 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -44.66 -44.1 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.53 -61.54 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.07 -34.4 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 516' ' ' ASN . 93.2 mt -70.55 -57.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.9 -27.27 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.78 -53.53 5.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 527' ' ' ALA . 16.5 mt -91.13 24.23 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 516' ' ' ASN . 2.4 t-20 -85.04 0.13 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -178.75 39.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 518' ' ' ARG . 3.2 mmp_? -77.92 166.65 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -110.07 103.4 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.489 ' HB2' HG22 ' A' ' 525' ' ' VAL . 32.0 t80 -79.08 157.98 27.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.89 96.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.064 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 66.11 29.74 75.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.527 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 523' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 27.9 mtp180 -162.01 164.67 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 524' ' ' LYS . . . . . 0.463 ' O ' ' ND2' ' A' ' 451' ' ' ASN . 11.7 tptm -102.85 143.66 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.489 HG22 ' HB2' ' A' ' 520' ' ' PHE . 21.9 t -102.05 144.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 526' ' ' VAL . . . . . 0.444 HG11 ' NE ' ' A' ' 450' ' ' ARG . 61.9 t -134.8 119.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 527' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 515' ' ' LEU . . . -124.86 138.12 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.729 ' OE2' HG13 ' A' ' 448' ' ' VAL . 2.5 pm0 -158.54 160.01 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 529' ' ' VAL . 10.8 p -86.75 119.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 65.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -103.2 13.73 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 59.1 t -108.07 116.69 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.597 ' CE ' HD21 ' A' ' 449' ' ' LEU . 31.2 ttp -106.17 139.84 40.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.524 HG21 ' HE2' ' A' ' 497' ' ' LYS . 11.6 p -109.02 134.1 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.597 HD21 ' CE ' ' A' ' 447' ' ' MET . 15.3 mt -112.96 138.05 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ARG . . . . . 0.513 HH21 HG12 ' A' ' 526' ' ' VAL . 53.1 mtm180 -132.95 173.49 11.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 30.4 t30 37.36 45.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 21.5 ttt -102.46 -64.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.592 HG21 HD21 ' A' ' 462' ' ' LEU . 3.9 m -135.95 127.8 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -50.55 159.8 0.84 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' PRO . . . . . 0.417 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.8 Cg_endo -69.78 -3.74 12.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -86.72 -31.17 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.78 13.57 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 455' ' ' PRO . 44.5 mm -75.34 101.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -139.1 164.43 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.7 -38.49 78.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.29 -41.72 93.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.592 HD21 HG21 ' A' ' 453' ' ' VAL . 28.5 tp -52.37 -51.89 56.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -39.01 -52.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.09 -44.15 96.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.03 -51.16 44.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.0 -40.98 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 93.5 m -58.22 -45.18 88.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.34 -30.52 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.42 -48.5 69.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLY . 71.0 m -64.81 -34.69 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -36.26 -41.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.92 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -44.89 -55.14 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 474' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 507' ' ' GLU . . . -169.7 -169.91 33.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.95 114.8 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.99 125.67 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -90.29 -60.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -142.33 150.17 40.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.96 112.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 19.0 mt -127.31 130.3 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 45.8 mt -106.33 103.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.466 ' O ' HG13 ' A' ' 496' ' ' VAL . 23.1 t80 -104.33 150.34 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -145.56 162.27 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -167.87 162.81 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 485' ' ' LYS . . . . . 0.404 ' HG3' ' CD1' ' A' ' 494' ' ' ILE . 9.8 ttpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 32.2 mm -112.47 101.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.726 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.9 pp -94.69 155.71 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 496' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 482' ' ' TYR . 54.7 t -123.91 140.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 497' ' ' LYS . . . . . 0.524 ' HE2' HG21 ' A' ' 448' ' ' VAL . 7.6 mtpm? -116.22 106.23 13.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 50.5 mt -90.72 123.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -96.51 123.17 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.618 HG12 ' CE1' ' A' ' 502' ' ' PHE . 55.2 t -122.63 101.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -98.87 132.95 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.618 ' CE1' HG12 ' A' ' 500' ' ' VAL . 56.3 m-85 -108.76 165.97 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.4 m -62.76 -24.55 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.45 HD12 ' HB2' ' A' ' 506' ' ' SER . 17.6 pt -144.21 149.98 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.04 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' SER . . . . . 0.45 ' HB2' HD12 ' A' ' 504' ' ' ILE . 26.2 m -45.54 -62.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.428 ' CD ' ' HA3' ' A' ' 474' ' ' GLY . 96.3 mt-10 -48.65 -36.1 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 15.0 m -66.22 -58.08 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -45.1 -46.17 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.67 -66.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -39.9 -30.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 514' ' ' ALA . 81.3 mt -80.93 -60.39 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -43.31 -23.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 512' ' ' ILE . . . -99.74 -57.97 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.937 HD23 ' HG3' ' A' ' 518' ' ' ARG . 29.6 mt -62.51 -7.97 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -62.26 -9.99 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.91 40.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.937 ' HG3' HD23 ' A' ' 515' ' ' LEU . 9.1 mmm180 -73.18 162.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -113.2 114.07 26.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.576 ' HB2' HG23 ' A' ' 525' ' ' VAL . 36.5 t80 -86.62 158.32 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.23 84.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.84 14.2 75.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -147.4 171.46 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -113.49 141.57 46.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 520' ' ' PHE . 76.2 t -110.01 151.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 526' ' ' VAL . . . . . 0.513 HG12 HH21 ' A' ' 450' ' ' ARG . 83.7 t -134.82 119.84 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -115.68 144.76 43.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.48 ' HG3' HG12 ' A' ' 448' ' ' VAL . 7.7 pt-20 -159.08 161.83 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.85 151.57 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.9 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.4 t -88.89 9.26 25.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 501' ' ' GLU . 13.0 t -108.97 107.48 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.434 ' CG ' ' N ' ' A' ' 448' ' ' VAL . 26.0 ttp -98.52 159.79 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 528' ' ' GLU . 10.5 p -133.95 139.57 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 69.0 mt -115.51 127.66 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -120.29 134.38 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 17.7 t30 71.88 46.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.499 ' HG2' HG13 ' A' ' 453' ' ' VAL . 14.0 ttt -95.11 -61.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.749 HG21 HD21 ' A' ' 462' ' ' LEU . 25.4 m -135.18 137.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.6 158.09 61.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -17.27 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -96.76 13.17 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 43.0 mm -60.13 102.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -138.96 162.89 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -74.17 -37.23 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.749 HD21 HG21 ' A' ' 453' ' ' VAL . 33.7 tp -53.08 -52.97 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.5 -57.56 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -57.96 -41.61 94.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.55 -50.31 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.19 -41.11 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 70.9 m -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -70.77 -25.66 63.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.95 -55.35 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.539 ' SG ' HG11 ' A' ' 500' ' ' VAL . 99.2 m -55.45 -33.92 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -43.51 -37.28 3.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -47.0 -44.97 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 32.2 m-85 -66.43 -47.78 72.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -175.97 -154.26 11.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -81.42 109.41 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.48 132.38 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 477' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 6.5 t-20 -85.52 -58.82 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -163.61 165.6 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -137.16 141.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 46.9 mt -134.2 133.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 56.2 mt -106.07 105.75 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -108.4 130.31 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -144.4 140.44 29.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -162.39 157.02 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.412 ' O ' HD13 ' A' ' 494' ' ' ILE . 9.3 tp10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.78 0.324 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 493' ' ' GLU . 16.1 mm -131.48 107.78 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.731 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -87.85 163.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -139.46 105.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -95.67 116.43 28.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.54 142.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -115.39 132.6 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.587 HG12 ' CE1' ' A' ' 502' ' ' PHE . 54.7 t -134.3 100.57 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.543 ' HG3' HG22 ' A' ' 446' ' ' VAL . 12.0 tt0 -100.77 136.18 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.587 ' CE1' HG12 ' A' ' 500' ' ' VAL . 41.7 m-85 -111.46 173.02 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 27.0 t -60.48 -52.99 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.44 HD11 ' HG2' ' A' ' 507' ' ' GLU . 22.2 pt -112.63 169.54 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.8 55.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -47.78 -60.76 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.44 ' HG2' HD11 ' A' ' 504' ' ' ILE . 14.5 mm-40 -47.66 -44.86 27.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 94.7 m -54.85 -60.6 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -45.67 -46.09 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -55.51 -63.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.539 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.27 -45.96 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.401 ' CG1' ' SD ' ' A' ' 447' ' ' MET . 95.7 mt -58.2 -61.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -45.93 -29.49 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -45.84 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 518' ' ' ARG . 6.5 mt -95.84 23.69 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -83.06 -3.75 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.49 22.56 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.505 ' HG3' HD23 ' A' ' 515' ' ' LEU . 6.9 mmp_? -64.73 159.87 21.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 519' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 524' ' ' LYS . 36.7 m95 -116.74 102.76 9.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 522' ' ' GLY . 20.9 t80 -80.13 160.25 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.82 89.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 68.01 28.45 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 523' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 520' ' ' PHE . 35.8 mmt180 -154.22 120.18 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 524' ' ' LYS . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 519' ' ' TRP . 19.0 tttm -77.84 116.92 18.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 28.3 t -79.8 148.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 39.7 t -142.98 104.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.84 138.61 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.505 ' O ' HG12 ' A' ' 448' ' ' VAL . 8.7 pt-20 -155.31 174.55 15.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.29 145.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.8 t -127.17 11.51 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 77.5 t -115.75 102.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 32.5 ttp -93.12 136.03 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 448' ' ' VAL . 12.5 p -109.36 115.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.45 138.16 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 451' ' ' ASN . 0.6 OUTLIER -120.82 167.71 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 450' ' ' ARG . 11.2 t-20 34.28 39.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 ttt -83.66 -66.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.648 HG21 HD21 ' A' ' 462' ' ' LEU . 27.3 m -135.22 128.21 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' ASP . . . . . 0.491 ' OD1' ' CZ ' ' A' ' 523' ' ' ARG . 1.4 m-20 -56.37 159.43 6.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.73 3.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.83 -20.82 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.31 11.63 23.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.0 mm -60.89 99.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -137.97 178.64 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.63 -40.02 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.89 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.648 HD21 HG21 ' A' ' 453' ' ' VAL . 16.4 tp -47.46 -57.28 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.3 tt0 -38.03 -53.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.11 98.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.45 -50.24 65.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -40.04 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.2 m -59.63 -59.34 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.26 -45.09 88.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.77 -41.05 61.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.404 ' HB2' HG21 ' A' ' 476' ' ' VAL . 99.1 m -68.64 -35.76 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -38.11 -41.71 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -63.16 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 14.7 m-85 -48.86 -39.93 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 166.41 -175.13 41.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -55.83 120.64 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.404 HG21 ' HB2' ' A' ' 470' ' ' CYS . 59.2 t -88.01 122.98 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.5 -52.31 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 478' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.6 ptm85 -165.93 171.22 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.8 122.97 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 61.3 mt -115.84 129.98 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 64.2 mt -112.14 106.47 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.92 143.34 39.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -146.51 121.22 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -133.94 166.39 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 20.4 mm -122.14 103.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -77.83 152.6 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 54.8 t -130.86 106.93 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 497' ' ' LYS . . . . . 0.444 ' HG3' HD13 ' A' ' 495' ' ' ILE . 71.8 mttt -99.91 117.99 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 64.0 mt -110.04 113.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -90.91 140.12 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.672 HG12 ' CE1' ' A' ' 502' ' ' PHE . 61.1 t -129.34 111.32 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.425 ' HB3' ' CG ' ' A' ' 478' ' ' ARG . 9.0 tp10 -95.18 125.57 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.672 ' CE1' HG12 ' A' ' 500' ' ' VAL . 83.9 m-85 -110.63 170.28 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 78.3 p -63.07 -47.42 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 506' ' ' SER . 16.0 pt -126.64 162.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.59 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' SER . . . . . 0.416 ' HB3' HD12 ' A' ' 504' ' ' ILE . 3.0 t -53.63 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -50.13 -45.84 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 12.1 m -58.95 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -42.03 -41.1 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.67 -56.96 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.62 -36.85 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.86 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -41.56 -30.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.98 -48.65 9.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.509 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 17.4 mt -89.44 24.64 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -86.5 -0.89 57.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -174.93 37.07 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -79.12 159.28 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -103.4 111.05 23.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.451 ' HB2' ' CG2' ' A' ' 525' ' ' VAL . 29.9 t80 -82.19 158.15 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.46 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 74.11 22.62 77.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 523' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 454' ' ' ASP . 96.7 mtt180 -155.93 169.36 24.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -106.61 150.08 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 18.5 t -113.69 145.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 526' ' ' VAL . . . . . 0.822 HG12 ' OE1' ' A' ' 528' ' ' GLU . 18.3 t -142.07 111.0 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 527' ' ' ALA . . . . . 0.443 ' C ' ' OE1' ' A' ' 528' ' ' GLU . . . -101.71 129.22 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.822 ' OE1' HG12 ' A' ' 526' ' ' VAL . 3.1 mp0 -119.55 170.01 9.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.67 147.55 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.943 0.401 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.822 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.0 t -111.97 14.31 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.475 HG22 ' CD ' ' A' ' 501' ' ' GLU . 91.4 t -106.36 104.34 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.522 ' CE ' HD21 ' A' ' 449' ' ' LEU . 44.2 ttp -93.06 159.91 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 528' ' ' GLU . 2.4 p -133.87 124.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.522 HD21 ' CE ' ' A' ' 447' ' ' MET . 35.8 mt -100.23 129.15 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -126.39 165.08 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 24.5 t30 47.52 46.87 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 24.2 ttt -102.32 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.99 144.87 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' ASP . . . . . 0.462 ' CG ' ' HG2' ' A' ' 456' ' ' LYS . 40.9 p30 -59.67 153.17 53.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.92 15.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.462 ' HG2' ' CG ' ' A' ' 454' ' ' ASP . 1.0 OUTLIER -90.12 -16.28 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -96.17 8.95 42.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 13.6 mm -66.59 107.44 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.74 165.96 23.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -60.14 -29.78 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.3 -42.68 71.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 463' ' ' GLU . 46.1 tp -46.49 -63.14 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.7 tt0 -35.76 -48.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.88 93.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.34 -46.63 69.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.91 -41.18 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 62.9 m -59.45 -44.7 92.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -63.96 -60.88 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -49.56 -36.55 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 471' ' ' GLY . 99.2 m -72.72 -53.26 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -34.94 -37.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -48.17 -50.1 30.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.699 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 44.5 m-85 -57.52 -51.26 70.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.18 -160.08 18.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.1 109.96 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.52 118.71 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 477' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 503' ' ' SER . 3.4 m-20 -79.63 -46.98 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 478' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 478' ' ' ARG . 1.8 ptp180 -173.36 158.75 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 63.2 t -132.45 139.81 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 68.0 mt -128.02 138.22 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 71.6 mt -112.67 100.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -116.64 133.58 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -137.95 131.66 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.9 152.8 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' LYS . . . . . 0.535 ' HE2' HD11 ' A' ' 494' ' ' ILE . 12.3 ttmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.815 0.341 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.535 HD11 ' HE2' ' A' ' 485' ' ' LYS . 32.6 mm -110.6 118.56 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.725 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -91.78 177.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -138.6 121.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -107.18 109.59 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 66.4 mt -97.35 111.74 27.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -89.06 113.92 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 98.6 t -106.91 105.82 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.822 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.0 tp10 -97.08 128.3 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -104.38 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.475 ' N ' ' OD1' ' A' ' 477' ' ' ASN . 2.0 m -87.18 -33.8 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.712 HD11 ' CG ' ' A' ' 507' ' ' GLU . 0.2 OUTLIER -122.69 169.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.72 -34.34 22.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.8 m -59.33 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.712 ' CG ' HD11 ' A' ' 504' ' ' ILE . 0.8 OUTLIER -45.29 -39.91 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 3.5 m -63.97 -53.09 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -49.28 -38.8 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -64.76 -59.59 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.699 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -46.59 -33.61 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 47.7 mt -79.73 -54.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -46.61 -25.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.18 -58.54 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.569 ' CB ' ' HB2' ' A' ' 527' ' ' ALA . 18.0 mt -57.14 -16.66 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -52.81 -17.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -159.88 45.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -82.82 158.63 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -108.09 107.08 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.698 ' HB2' HG23 ' A' ' 525' ' ' VAL . 31.2 t80 -78.73 157.82 28.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.13 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.76 22.82 65.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -156.96 170.91 21.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -112.77 143.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 520' ' ' PHE . 63.0 t -115.49 146.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 72.1 t -133.15 114.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 527' ' ' ALA . . . . . 0.569 ' HB2' ' CB ' ' A' ' 515' ' ' LEU . . . -96.95 145.74 25.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.656 ' O ' HG12 ' A' ' 448' ' ' VAL . 12.1 mm-40 -148.92 155.09 40.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 529' ' ' VAL . 9.1 p -94.22 123.19 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.892 0.377 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 t -131.67 7.2 4.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 18.2 t -109.14 111.21 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.492 ' CE ' HD21 ' A' ' 449' ' ' LEU . 35.3 ttp -99.94 129.31 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 497' ' ' LYS . 2.6 p -109.71 116.95 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.492 HD21 ' CE ' ' A' ' 447' ' ' MET . 20.6 mt -94.73 138.41 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -130.44 139.38 50.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 69.58 49.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.411 ' CE ' HG22 ' A' ' 466' ' ' VAL . 12.7 ttt -98.17 -62.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.84 134.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.29 158.45 19.46 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.75 10.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.649 2.233 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -86.91 -17.27 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.84 9.25 43.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 49.8 mm -61.29 106.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -137.37 172.14 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.23 -48.91 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.52 -31.54 64.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 463' ' ' GLU . 26.0 tp -51.15 -67.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 16.9 tt0 -34.83 -43.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -68.22 -46.31 65.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 462' ' ' LEU . 11.7 mm-40 -52.22 -49.46 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.411 HG22 ' CE ' ' A' ' 452' ' ' MET . 89.9 t -63.82 -43.54 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 38.6 m -60.1 -47.59 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.02 -50.83 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.14 -38.11 56.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 68.1 m -69.39 -29.47 67.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.71 -28.8 60.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -55.27 -39.46 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 25.7 m-85 -71.95 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -159.82 -150.44 5.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -84.96 110.32 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 59.1 t -67.3 116.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 477' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 7.6 t-20 -75.86 -56.19 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 478' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 3.7 ptm85 -165.48 163.64 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 88.9 t -133.72 133.72 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 73.7 mt -118.98 125.93 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 91.1 mt -104.93 105.23 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -109.12 124.08 50.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -137.49 121.23 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -160.01 150.68 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' LYS . . . . . 0.801 ' HE3' HD11 ' A' ' 494' ' ' ILE . 24.7 ttmt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.801 HD11 ' HE3' ' A' ' 485' ' ' LYS . 22.6 mm -92.11 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -70.96 166.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 55.1 t -144.66 121.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 497' ' ' LYS . . . . . 0.466 ' HG3' HG23 ' A' ' 448' ' ' VAL . 3.6 tppt? -110.92 123.05 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.21 110.55 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 497' ' ' LYS . 32.6 m-85 -92.89 142.94 26.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 500' ' ' VAL . . . . . 0.598 HG12 ' CE1' ' A' ' 502' ' ' PHE . 74.9 t -138.74 107.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 27.2 tt0 -99.08 135.15 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.598 ' CE1' HG12 ' A' ' 500' ' ' VAL . 27.8 m-85 -107.0 172.54 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 72.8 p -64.57 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.9 pt -128.71 154.51 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.36 77.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -42.45 -64.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -42.24 -48.83 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 7.3 m -57.24 -55.95 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -43.07 -44.52 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.7 -58.25 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.409 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.7 -45.23 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 516' ' ' ASN . 52.0 mt -60.15 -58.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -50.43 -24.7 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.88 -50.44 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 518' ' ' ARG . 21.5 mt -97.2 22.07 9.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.8 t30 -84.74 -0.83 55.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.46 29.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.474 ' HG3' HD23 ' A' ' 515' ' ' LEU . 4.4 mmt-85 -71.22 161.34 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -119.31 102.05 8.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 15.6 t80 -82.1 158.46 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.531 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -44.87 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 59.2 35.03 82.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 523' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 44.4 mtp180 -163.3 119.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -77.09 120.56 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 55.9 t -79.65 150.55 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.67 111.47 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.19 117.06 33.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.541 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 9.6 tt0 -109.47 165.7 11.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.541 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 9.8 p -102.34 125.56 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.1 t -104.99 19.73 20.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 62.1 t -118.52 97.83 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 447' ' ' MET . 8.7 tmm? -93.69 136.95 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' VAL . . . . . 0.548 HG13 ' HB3' ' A' ' 528' ' ' GLU . 7.1 p -116.55 132.17 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 93.9 mt -99.35 133.69 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -127.61 140.99 51.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 68.04 42.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 16.7 ttt -94.69 -60.93 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.406 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 11.1 m -141.77 127.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.68 158.63 0.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.53 4.35 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -86.75 -30.73 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.14 19.0 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 33.8 mm -73.38 107.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.12 -38.54 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.04 -42.62 98.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 36.0 tp -43.91 -54.98 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -41.74 -52.48 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.53 -47.4 91.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -48.5 -57.53 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.68 -42.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.8 m -57.97 -53.65 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.1 -48.26 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -58.16 -61.55 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 470' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' GLY . 92.0 m -40.68 -43.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -38.27 -38.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.88 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 18.6 m-85 -46.75 -46.0 20.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 179.36 -158.98 23.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -75.72 116.46 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.57 118.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -78.73 -55.84 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 478' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 478' ' ' ARG . 3.9 ptp180 -162.46 167.81 22.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 61.7 t -141.34 138.61 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 75.5 mt -137.78 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.3 mt -119.31 104.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -109.09 132.78 53.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -142.28 128.73 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -147.35 163.14 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 13.3 tttp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 51.0 mm -118.93 126.51 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 495' ' ' ILE . 2.0 pp -101.36 156.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 74.4 t -131.49 109.77 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -92.93 123.63 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.22 112.73 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -95.07 131.47 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 96.7 t -134.01 112.35 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.99 141.09 37.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.479 ' HD1' ' HG1' ' A' ' 508' ' ' THR . 96.4 m-85 -116.67 171.09 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.2 m -58.29 -47.25 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.404 ' CG1' ' HG2' ' A' ' 507' ' ' GLU . 25.0 pt -123.56 162.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.56 -41.12 80.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 5.8 t -44.14 -63.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.404 ' HG2' ' CG1' ' A' ' 504' ' ' ILE . 2.8 mm-40 -47.34 -46.8 25.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.479 ' HG1' ' HD1' ' A' ' 502' ' ' PHE . 91.3 m -57.05 -60.98 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -41.52 -42.72 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.21 -46.57 88.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.557 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -56.3 -40.88 75.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 516' ' ' ASN . 89.6 mt -66.48 -58.46 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -45.91 -35.86 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -77.92 -52.19 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.513 HD23 ' HG3' ' A' ' 518' ' ' ARG . 15.2 mt -89.2 25.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 516' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.2 t-20 -86.5 -10.2 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -162.91 32.1 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.513 ' HG3' HD23 ' A' ' 515' ' ' LEU . 7.0 mmp_? -72.55 158.53 35.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -107.9 110.04 21.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.742 ' HB2' HG23 ' A' ' 525' ' ' VAL . 30.4 t80 -81.44 158.14 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.29 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 79.0 22.49 65.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -153.09 166.34 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -109.29 132.54 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.742 HG23 ' HB2' ' A' ' 520' ' ' PHE . 54.8 t -103.19 136.66 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.21 120.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -100.2 120.92 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 528' ' ' GLU . . . . . 0.548 ' HB3' HG13 ' A' ' 448' ' ' VAL . 32.5 tt0 -108.47 167.77 9.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 529' ' ' VAL . 11.2 p -108.88 114.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.98 0.419 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.41 HG23 ' HG3' ' A' ' 501' ' ' GLU . 12.5 t -84.04 20.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 45.8 t -108.72 100.67 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.612 ' HB2' HG22 ' A' ' 508' ' ' THR . 8.6 tmm? -96.39 133.61 40.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.5 p -120.08 137.85 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 16.9 mt -107.67 145.35 33.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -133.54 148.86 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.9 t30 56.43 35.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.525 ' HA ' HG22 ' A' ' 525' ' ' VAL . 8.1 ttt -93.46 -49.3 5.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.421 HG13 ' HG2' ' A' ' 452' ' ' MET . 3.4 m -142.2 133.8 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.26 158.75 26.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.54 0.686 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -92.03 -38.55 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' ILE . . . . . 0.404 HD11 HG11 ' A' ' 496' ' ' VAL . 35.3 mm -37.0 113.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.81 156.71 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.47 -27.68 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.36 -40.81 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 463' ' ' GLU . 18.2 tp -58.66 -57.54 12.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 463' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.5 tt0 -36.68 -57.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.63 94.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.62 -47.3 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.89 -44.44 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.5 m -56.96 -32.61 66.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -80.61 -36.93 32.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.69 -23.76 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 85.3 m -84.43 -2.54 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -77.81 -25.17 63.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 472' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 472' ' ' LYS . 3.0 mmtp -59.6 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.676 ' CZ ' HD11 ' A' ' 515' ' ' LEU . 45.6 m-85 -47.92 -45.85 31.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.29 -129.26 1.48 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -101.11 112.18 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.73 138.43 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -102.39 -62.0 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -146.33 157.44 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.09 113.85 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 17.7 mt -130.05 125.18 59.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 78.3 mt -104.69 98.45 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -98.13 132.0 44.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.87 129.31 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -144.43 159.18 43.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 485' ' ' LYS . . . . . 0.445 ' HD3' ' CD1' ' A' ' 494' ' ' ILE . 11.5 ttpt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 494' ' ' ILE . . . . . 0.445 ' CD1' ' HD3' ' A' ' 485' ' ' LYS . 13.6 mm -97.42 115.62 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.666 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -91.85 168.02 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 496' ' ' VAL . . . . . 0.404 HG11 HD11 ' A' ' 458' ' ' ILE . 93.6 t -139.49 117.53 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -101.06 118.81 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.28 119.14 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.95 124.06 43.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.66 104.62 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' HG23 ' A' ' 445' ' ' THR . 21.7 tt0 -100.7 134.46 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 502' ' ' PHE . . . . . 0.476 ' HD1' HG23 ' A' ' 508' ' ' THR . 79.5 m-85 -104.88 170.89 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 44.5 t -58.21 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 506' ' ' SER . 28.6 pt -119.71 155.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.82 82.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' SER . . . . . 0.5 ' HB3' HD12 ' A' ' 504' ' ' ILE . 43.0 t -48.67 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -44.52 -44.9 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.612 HG22 ' HB2' ' A' ' 447' ' ' MET . 1.3 m -56.98 -61.66 2.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -42.34 -44.53 3.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -57.36 -55.03 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 511' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -49.58 -38.19 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.2 mt -68.83 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -44.43 -24.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.79 -45.15 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.676 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 1.0 OUTLIER -98.54 31.45 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -89.83 -3.54 58.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.29 29.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -66.26 158.39 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -117.5 100.4 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.501 ' HB2' HG23 ' A' ' 525' ' ' VAL . 18.6 t80 -76.9 159.43 30.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -47.62 89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 522' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 69.74 28.96 71.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 523' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 520' ' ' PHE . 79.4 mtt180 -156.22 123.78 5.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -80.24 118.9 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.525 HG22 ' HA ' ' A' ' 452' ' ' MET . 94.8 t -84.94 157.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 526' ' ' VAL . . . . . 0.495 ' N ' HG12 ' A' ' 525' ' ' VAL . 19.9 t -149.01 116.12 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -98.46 139.96 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -143.14 159.45 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 529' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 529' ' ' VAL . 7.0 p -94.63 117.16 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 52.9 p -113.02 42.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 25.0 m 41.19 42.12 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 152.93 141.38 3.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 73.0 p -96.19 -44.93 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.0 t -123.58 150.52 43.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 138.19 173.95 13.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -138.33 155.78 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.68 174.82 5.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 23.5 mt -81.84 42.57 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -94.95 149.89 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -89.94 174.5 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -105.86 88.16 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.45 158.69 7.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.6 t -90.85 122.11 33.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.622 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.3 t -109.23 28.04 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.597 HG22 ' OE1' ' A' ' 501' ' ' GLU . 61.9 t -122.01 107.04 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.53 ' CE ' HD21 ' A' ' 449' ' ' LEU . 46.6 ttp -92.96 143.06 26.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 448' ' ' VAL . 9.3 p -118.97 111.8 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.53 HD21 ' CE ' ' A' ' 447' ' ' MET . 19.9 mt -88.38 140.84 29.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 450' ' ' ARG . 7.3 mtp-105 -134.59 155.07 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 26.2 t30 62.16 26.26 15.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 498' ' ' ILE . 11.1 ttt -73.32 -68.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.15 139.94 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.71 160.14 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' PRO . . . . . 0.434 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.8 Cg_endo -69.78 2.01 3.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -90.31 -39.87 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.11 -22.59 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.513 HD13 ' CD2' ' A' ' 462' ' ' LEU . 46.1 mm -47.57 108.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -138.34 165.93 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -56.27 -16.35 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -84.6 -42.88 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.513 ' CD2' HD13 ' A' ' 458' ' ' ILE . 20.3 tp -43.56 -62.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 462' ' ' LEU . 18.7 tt0 -36.57 -57.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.05 -45.34 93.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.06 -33.5 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 21.2 m -66.42 -48.91 68.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -68.46 -30.11 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.45 -36.45 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 57.7 m -76.51 -30.18 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.91 -27.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.48 -55.38 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' A' ' 515' ' ' LEU . 27.0 m-85 -52.31 -59.11 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -164.63 -159.2 10.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.28 109.95 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.34 117.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.12 -53.38 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -167.29 160.53 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 84.4 t -130.23 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 20.4 mt -131.74 125.52 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 65.7 mt -105.8 113.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -120.8 125.87 48.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -136.99 149.52 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -167.51 174.84 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -88.93 137.36 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -119.88 23.89 10.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -141.7 139.95 9.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -64.78 -35.2 80.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 15.1 mt-10 -47.63 147.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.69 -41.27 94.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -112.81 33.42 5.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 489' ' ' GLU . . . -51.73 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.582 ' O ' HD13 ' A' ' 494' ' ' ILE . 20.9 tt0 -82.53 155.76 24.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 493' ' ' GLU . 11.5 mm -124.78 119.31 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.699 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.9 pp -92.47 168.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 75.3 t -136.94 120.56 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -107.1 109.66 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ILE . . . . . 0.505 HD13 ' SD ' ' A' ' 452' ' ' MET . 59.5 mt -102.11 110.96 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.77 128.09 42.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.429 HG12 ' CE1' ' A' ' 502' ' ' PHE . 41.0 t -122.6 104.63 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.622 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.1 tp10 -89.98 129.35 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 500' ' ' VAL . 46.1 m-85 -104.72 -176.93 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 35.1 t -82.2 -34.41 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 162.23 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.75 70.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.6 t -46.69 -58.11 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -50.91 -51.11 55.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 98.3 m -53.4 -45.97 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.53 -41.19 76.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -61.18 -57.83 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.403 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -51.43 -35.47 39.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 516' ' ' ASN . 97.2 mt -73.51 -52.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.74 -24.73 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -94.73 -63.53 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 9.8 mt -60.6 -9.83 4.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 1.0 OUTLIER -59.57 -10.7 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.13 36.15 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.404 ' HG3' HD23 ' A' ' 515' ' ' LEU . 1.7 mmp_? -76.6 162.01 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -106.45 117.13 33.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.813 ' HB2' HG23 ' A' ' 525' ' ' VAL . 34.8 t80 -87.37 157.85 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.4 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.89 84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.31 21.09 65.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -154.61 171.18 19.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -108.45 140.29 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 520' ' ' PHE . 43.1 t -108.58 145.24 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.79 111.37 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.5 116.06 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -111.77 165.07 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 1.9 p -94.46 128.41 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -86.89 176.31 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.06 114.34 28.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 533' ' ' GLU . 0.0 OUTLIER -63.98 -46.26 85.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 533' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 532' ' ' GLN . 4.4 pt-20 -39.22 -60.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -66.66 -33.68 76.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.533 ' CD2' HG21 ' A' ' 446' ' ' VAL . 4.0 t80 -58.1 -17.56 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -52.65 -40.88 63.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -107.22 -176.65 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 3.9 m -98.63 44.53 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.57 90.28 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 540' ' ' LEU . 4.4 mm? -83.94 -59.64 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 34.6 t -43.4 -49.94 6.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -114.51 179.13 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 60.6 p -116.44 118.46 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 59.97 150.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.4 m -66.65 127.3 31.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 39.0 p -40.68 -47.94 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 430' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 431' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 430' ' ' GLY . 32.6 p -36.25 -59.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 21.5 t -71.72 82.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 146.89 -100.85 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.7 m -59.16 159.99 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 1.4 t -153.44 131.5 11.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -73.82 101.86 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -125.8 141.14 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 64.4 mt -117.44 165.16 13.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.04 -53.95 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -59.55 145.2 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -113.1 119.84 39.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -91.44 153.23 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -39.75 138.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.5 m -106.74 113.9 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 t -116.27 7.42 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.422 HG21 ' CG ' ' A' ' 535' ' ' PHE . 17.4 t -100.06 132.24 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 45.0 ttp -121.72 158.68 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.635 HG13 ' HB2' ' A' ' 528' ' ' GLU . 2.3 p -131.94 123.0 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.529 HD21 HD13 ' A' ' 515' ' ' LEU . 51.6 mt -101.8 134.81 44.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -133.74 153.78 51.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 21.8 t30 60.31 47.47 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.418 ' HG2' HG13 ' A' ' 453' ' ' VAL . 8.0 ttt -113.17 -58.16 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 462' ' ' LEU . 13.4 m -138.54 119.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.79 160.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -0.85 7.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -90.75 -12.92 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -102.84 8.25 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.19 101.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.62 168.19 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.32 -42.41 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.79 96.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 453' ' ' VAL . 37.6 tp -43.03 -54.99 4.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.01 -58.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -52.86 -45.21 61.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.84 -58.92 5.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 62.3 t -53.21 -37.17 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.3 m -60.79 -49.5 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.02 -14.02 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -79.86 -38.45 32.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 71.9 m -75.99 -31.63 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -40.27 -33.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -51.89 -46.15 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 36.1 m-85 -59.93 -59.27 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.66 -152.94 7.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.46 110.0 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 70.1 t -68.2 147.73 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' ASN . . . . . 0.422 ' HB2' ' CA ' ' A' ' 502' ' ' PHE . 1.9 t-20 -108.23 -60.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -165.55 158.51 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.6 t -130.35 132.72 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 90.4 mt -124.64 126.9 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.754 HG22 HE22 ' A' ' 483' ' ' GLN . 62.3 mt -100.98 104.97 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -109.99 123.49 49.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' GLN . . . . . 0.754 HE22 HG22 ' A' ' 481' ' ' ILE . 0.0 OUTLIER -131.35 127.24 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -163.52 145.11 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.457 ' CA ' HD13 ' A' ' 494' ' ' ILE . 1.2 ttmp? -62.7 132.15 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -93.31 22.86 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -173.39 120.4 0.8 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.16 -22.97 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.83 128.8 38.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.94 -30.94 62.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.12 -20.66 65.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -66.97 135.51 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -96.69 142.02 29.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.457 HD13 ' CA ' ' A' ' 485' ' ' LYS . 17.5 mm -67.42 128.62 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.715 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.7 pp -95.95 166.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 496' ' ' VAL . . . . . 0.401 ' N ' HD12 ' A' ' 495' ' ' ILE . 96.3 t -128.43 100.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 448' ' ' VAL . 1.2 tppp? -97.42 110.6 23.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -98.99 131.38 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 540' ' ' LEU . 76.8 m-85 -111.17 126.51 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.37 112.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 51.1 tt0 -105.19 143.12 33.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 502' ' ' PHE . 4.0 m-85 -116.52 173.18 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.3 t -64.32 -48.99 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.517 HD11 ' HG2' ' A' ' 507' ' ' GLU . 13.8 pt -113.82 172.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -81.81 -30.68 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 3.1 t -54.24 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.517 ' HG2' HD11 ' A' ' 504' ' ' ILE . 22.1 mm-40 -45.06 -48.56 11.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 43.8 m -54.29 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.83 -42.04 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.44 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.678 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -40.99 -36.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.41 -58.04 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -44.86 -24.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -96.15 -56.34 2.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 511' ' ' ALA . 9.4 mt -63.64 -9.23 12.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -60.2 -11.52 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 27.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.464 ' HG3' HD23 ' A' ' 515' ' ' LEU . 13.7 mmt180 -64.38 160.17 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -108.41 119.25 38.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.654 ' HB2' HG23 ' A' ' 525' ' ' VAL . 30.0 t80 -89.63 158.03 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.497 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.85 85.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.73 15.14 78.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -147.62 171.2 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -107.57 146.18 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' A' ' 520' ' ' PHE . 79.5 t -113.66 147.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.83 122.5 38.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -108.8 148.24 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.635 ' HB2' HG13 ' A' ' 448' ' ' VAL . 17.0 mt-10 -150.29 157.51 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 529' ' ' VAL . 3.9 p -94.31 119.45 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -76.18 168.52 19.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -87.11 96.66 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -62.11 -34.79 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -43.15 -44.89 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -89.45 -29.38 19.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.422 ' CG ' HG21 ' A' ' 446' ' ' VAL . 39.2 t80 -56.91 -28.68 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -40.1 -46.56 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -100.68 -176.01 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 63.7 m -93.95 41.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.67 -44.62 96.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 499' ' ' PHE . 3.2 tt -50.69 -44.06 57.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.8 t -81.66 171.37 14.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -52.2 -54.18 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 5.8 t -73.78 89.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -109.78 -158.63 17.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 164.64 33.79 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 49.4 m -114.68 131.08 56.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 2.9 t -142.86 125.93 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 21.9 m -73.22 156.18 38.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 6.9 t -88.82 139.77 30.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 113.11 89.21 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.425 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 21.1 t -79.54 122.03 25.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.4 m -48.12 111.18 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -77.05 155.6 44.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -121.02 -26.81 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 8.9 tp -133.12 108.94 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 440' ' ' ARG . 3.9 tt -63.43 127.44 31.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.407 ' N ' HD23 ' A' ' 439' ' ' LEU . 0.1 OUTLIER -135.6 168.43 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 36.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -56.85 92.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLU . . . . . 0.741 ' HG3' ' HB2' ' A' ' 505' ' ' ALA . 1.1 pm0 -103.0 162.11 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 87.4 p -105.27 107.29 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.568 HG22 ' OE1' ' A' ' 532' ' ' GLN . 2.3 t -114.01 11.41 17.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.47 HG22 ' HG3' ' A' ' 501' ' ' GLU . 16.0 t -105.31 106.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.459 ' CE ' HD21 ' A' ' 449' ' ' LEU . 44.6 ttp -100.07 155.28 17.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 528' ' ' GLU . 7.1 p -131.43 130.95 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.459 HD21 ' CE ' ' A' ' 447' ' ' MET . 12.6 mt -103.57 140.77 37.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -139.69 140.78 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 28.6 t30 70.39 44.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 13.6 ttm -99.34 -53.17 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.474 HG21 HD21 ' A' ' 462' ' ' LEU . 3.5 m -149.32 142.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 160.75 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.703 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.281 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 457' ' ' ASP . 20.2 pttp -91.41 -36.59 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 456' ' ' LYS . 15.4 t0 -70.6 -28.62 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 457' ' ' ASP . 43.8 mm -36.52 123.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -150.9 152.6 33.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.97 -24.72 6.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 -33.63 44.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.474 HD21 HG21 ' A' ' 453' ' ' VAL . 32.8 tp -50.61 -58.39 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -39.16 -50.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.34 79.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -52.23 -50.74 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.53 -42.9 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 51.4 m -59.57 -45.21 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -72.4 -28.86 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.43 -35.44 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 471' ' ' GLY . 78.0 m -75.11 -36.97 61.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -37.67 -36.52 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -51.87 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.599 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 26.7 m-85 -57.83 -44.82 86.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.44 163.41 28.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -47.62 110.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.15 135.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -103.06 -55.84 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -145.99 151.54 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -142.86 116.1 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.36 132.58 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 79.7 mt -110.85 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -108.04 146.0 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.97 140.41 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -159.75 170.33 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.745 ' HD2' ' HB3' ' A' ' 492' ' ' ALA . 23.0 ttpp -86.67 134.06 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -114.54 23.18 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -136.71 138.91 10.18 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.425 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.66 -38.4 75.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 13.2 mt-10 -44.87 141.38 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -59.11 -45.45 90.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -105.13 30.62 5.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.745 ' HB3' ' HD2' ' A' ' 485' ' ' LYS . . . -50.63 -177.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -81.97 150.73 27.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.01 113.6 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.2 pp -85.2 171.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 90.0 t -134.97 109.78 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -99.13 115.02 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 49.7 mt -106.73 128.61 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -105.06 125.1 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 81.7 t -130.8 101.74 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.47 ' HG3' HG22 ' A' ' 446' ' ' VAL . 24.0 tt0 -102.72 141.88 34.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -113.02 179.76 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 22.4 t -68.58 -47.91 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.0 166.29 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' ALA . . . . . 0.741 ' HB2' ' HG3' ' A' ' 443' ' ' GLU . . . -72.64 -34.37 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -48.92 -62.34 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.95 -50.51 26.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -42.59 -44.06 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.72 -61.64 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.599 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -42.76 -37.89 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 516' ' ' ASN . 25.9 mt -73.55 -50.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -49.27 -29.46 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.1 -54.75 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.69 -8.85 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 512' ' ' ILE . 0.7 OUTLIER -64.21 -7.12 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.94 33.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -69.82 154.5 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -107.29 114.19 28.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 522' ' ' GLY . 24.1 t80 -84.08 157.77 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.482 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -53.24 83.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.95 18.7 60.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -152.77 171.12 18.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -117.11 143.43 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 526' ' ' VAL . 90.4 t -112.09 156.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 526' ' ' VAL . . . . . 0.473 ' N ' HG12 ' A' ' 525' ' ' VAL . 67.6 t -141.27 108.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.34 148.84 28.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.578 ' HG3' HG12 ' A' ' 448' ' ' VAL . 7.9 pt-20 -153.61 170.97 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 529' ' ' VAL . 10.6 p -94.78 111.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.455 ' CE2' ' CG ' ' A' ' 531' ' ' ASP . 42.8 t80 -88.66 167.27 13.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.455 ' CG ' ' CE2' ' A' ' 530' ' ' TYR . 2.1 p30 -64.1 156.21 29.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.568 ' OE1' HG22 ' A' ' 445' ' ' THR . 44.5 tt0 -123.77 -46.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -49.25 -58.74 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -72.12 -42.69 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -45.12 -31.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -41.03 -38.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.17 108.9 5.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 69.1 m -82.29 44.87 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.456 ' O ' ' CA ' ' A' ' 544' ' ' GLY . 6.3 m-20 -118.15 51.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.684 ' H ' HD23 ' A' ' 540' ' ' LEU . 1.0 OUTLIER -95.0 33.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 40.7 p -104.38 -33.55 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -122.4 -71.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 74.0 m -101.55 -68.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 539' ' ' ASP . . . 68.66 -158.6 52.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -16.31 37.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.272 . . . . 0.0 112.33 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 6.5 t -60.42 127.3 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 3.4 t -123.6 -45.79 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 15.9 m -81.23 103.79 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 6.4 m 45.67 50.46 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 163.28 146.57 4.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 435' ' ' SER . 21.0 t -53.53 151.08 6.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 434' ' ' SER . 71.0 m -37.52 116.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 123.1 34.61 0.77 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.526 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 146.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.25 144.47 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 10.7 tp -69.28 88.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -132.57 172.31 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -124.19 34.93 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.85 91.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -74.94 150.48 39.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 11.7 m -129.6 115.64 17.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.9 t -95.25 21.57 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.663 HG21 ' CD2' ' A' ' 535' ' ' PHE . 93.4 t -113.25 112.23 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 56.1 ttp -100.94 155.87 17.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 448' ' ' VAL . 13.3 p -133.46 118.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 62.2 mt -93.21 127.39 38.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -121.31 151.51 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 55.76 45.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.4 ttt -93.94 -59.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.599 HG21 HD21 ' A' ' 462' ' ' LEU . 4.7 m -144.1 149.07 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.3 161.45 69.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' PRO . . . . . 0.423 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.6 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -90.95 -38.1 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 458' ' ' ILE . 7.9 t0 -72.52 -32.82 66.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 457' ' ' ASP . 46.4 mm -34.03 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -136.77 161.6 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.0 -41.79 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.599 HD21 HG21 ' A' ' 453' ' ' VAL . 32.5 tp -54.06 -58.62 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.2 tt0 -34.94 -53.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.76 98.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -50.39 -45.27 55.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.22 -35.85 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.7 m -61.39 -50.73 71.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.98 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -54.55 -37.18 65.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.506 ' SG ' HG11 ' A' ' 500' ' ' VAL . 34.9 m -73.22 -33.42 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -46.38 -41.83 12.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -43.91 -50.24 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 30.1 m-85 -58.75 -58.0 10.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.78 -174.35 36.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -62.87 109.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.364 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.93 136.4 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 5.0 t-20 -95.57 -54.84 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -165.47 157.82 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 97.2 t -133.16 137.84 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.86 138.78 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 52.4 mt -116.4 103.47 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -108.84 141.4 40.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -146.9 149.08 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -165.44 156.05 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -81.33 131.58 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -109.84 28.74 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -152.59 141.63 8.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.67 -36.16 83.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -45.25 133.83 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' GLU . . . . . 0.424 ' OE1' ' CG ' ' A' ' 491' ' ' ASP . 1.9 pp20? -52.88 -34.42 54.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 491' ' ' ASP . . . . . 0.424 ' CG ' ' OE1' ' A' ' 490' ' ' GLU . 61.3 m-20 -113.78 29.55 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -51.68 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.97 144.43 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.4 mm -109.53 130.34 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -103.32 162.72 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 97.6 t -140.14 134.54 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -126.5 109.71 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 81.3 mt -95.98 113.58 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -90.83 111.04 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.506 HG11 ' SG ' ' A' ' 470' ' ' CYS . 93.4 t -113.92 103.77 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 33.5 tt0 -98.88 137.35 37.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.425 ' CE1' HG12 ' A' ' 500' ' ' VAL . 96.3 m-85 -112.54 171.54 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.6 t -57.21 -51.66 68.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 506' ' ' SER . 16.2 pt -121.89 165.15 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.75 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' SER . . . . . 0.547 ' HB2' HD12 ' A' ' 504' ' ' ILE . 2.8 m -48.91 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -50.11 -42.0 49.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 10.8 m -59.71 -56.69 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -47.91 -41.99 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -58.62 -58.5 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.41 -46.04 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 516' ' ' ASN . 95.6 mt -59.96 -57.08 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -48.88 -30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -56.52 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 518' ' ' ARG . 23.8 mt -87.66 24.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 2.5 t30 -85.46 -1.0 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -171.17 34.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' A' ' 515' ' ' LEU . 6.9 mmp_? -80.63 154.07 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -100.64 111.81 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.617 ' HB2' HG23 ' A' ' 525' ' ' VAL . 21.1 t80 -85.25 157.89 20.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.95 98.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 64.91 29.85 76.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -162.97 166.09 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -111.36 143.17 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 520' ' ' PHE . 65.0 t -108.41 143.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 81.8 t -139.68 111.74 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.18 141.15 29.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -141.51 164.29 30.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 529' ' ' VAL . 14.5 p -106.57 111.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -89.63 158.22 17.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.43 133.9 55.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -101.24 -43.62 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -39.99 -41.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -91.74 -26.88 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.663 ' CD2' HG21 ' A' ' 446' ' ' VAL . 45.9 t80 -52.01 -28.63 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -46.02 -48.38 16.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -68.03 119.59 12.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 2.7 m -83.18 45.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -118.31 80.72 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 45.7 mt -85.14 -48.02 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 37.3 m -87.79 -48.5 7.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.73 156.62 34.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.1 m -56.82 94.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -93.55 -157.8 33.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.87 3.13 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 16.9 t -93.86 -51.3 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 18.9 m -66.07 149.15 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 21.7 m 45.75 42.63 8.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.807 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 3.5 m -117.32 78.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 109.25 90.88 2.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 31.3 m -86.57 97.59 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 1.7 t 62.22 32.06 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 140.21 115.72 1.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' LYS . . . . . 0.404 ' CD ' ' H ' ' A' ' 437' ' ' LYS . 0.0 OUTLIER -82.96 86.47 6.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.92 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 438' ' ' LEU . 1.6 mm? -131.58 119.53 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.33 -51.91 66.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -100.54 87.08 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -111.22 124.88 53.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.67 91.84 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -110.87 168.54 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 89.0 p -121.92 65.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -93.72 13.55 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.715 HG22 ' HG3' ' A' ' 501' ' ' GLU . 63.3 t -110.96 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 35.8 ttp -98.07 152.32 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.874 HG21 ' HE3' ' A' ' 497' ' ' LYS . 9.5 p -128.24 128.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 515' ' ' LEU . 57.1 mt -105.97 132.35 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 450' ' ' ARG . 11.8 mtp-105 -127.75 140.12 52.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.6 t30 73.99 36.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.1 ttt -91.15 -56.7 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 462' ' ' LEU . 23.1 m -147.5 121.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.62 161.04 0.42 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' PRO . . . . . 0.459 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.5 Cg_endo -69.73 1.84 4.06 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -89.34 -29.6 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -92.4 16.47 11.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 21.0 mm -72.19 100.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.36 168.56 14.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.83 -39.97 91.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.07 -43.25 99.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 453' ' ' VAL . 26.9 tp -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 462' ' ' LEU . 14.1 tm-20 -34.88 -58.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -54.83 -45.81 78.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.45 -45.67 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.23 -44.36 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.8 m -57.31 -52.85 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 471' ' ' GLY . 13.1 mm-40 -58.07 -65.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -40.1 -46.8 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 86.1 m -58.93 -37.82 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 468' ' ' GLU . . . -40.01 -46.02 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -38.94 -55.0 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.854 0.359 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 511' ' ' ALA . 55.9 m-85 -51.84 -55.83 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -173.1 -136.37 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -98.91 110.78 23.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.93 129.73 36.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -85.44 -49.99 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.4 ptm85 -168.39 168.04 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.827 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 479' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 500' ' ' VAL . 69.8 t -142.22 145.44 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 73.8 mt -140.95 135.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 56.7 mt -110.64 107.87 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.74 139.33 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -144.61 161.12 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 485' ' ' LYS . 11.1 tt0 -168.23 152.72 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 494' ' ' ILE . 10.7 tttp -76.27 132.76 40.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -104.93 28.97 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -166.7 135.51 3.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.32 -39.64 76.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.73 145.12 20.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -72.45 -12.92 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.34 10.95 25.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -60.69 169.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -75.51 148.58 38.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 24.4 mm -121.82 108.95 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.6 pp -82.11 170.97 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 496' ' ' VAL . . . . . 0.431 ' N ' HD12 ' A' ' 495' ' ' ILE . 70.9 t -144.04 123.93 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.874 ' HE3' HG21 ' A' ' 448' ' ' VAL . 15.9 tptt -110.14 109.69 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.02 117.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.96 124.68 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 479' ' ' VAL . 43.6 t -130.27 100.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.715 ' HG3' HG22 ' A' ' 446' ' ' VAL . 12.2 tt0 -98.64 136.69 38.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -105.6 -177.9 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.4 m -74.7 -39.11 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.6 pt -126.12 168.52 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.37 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 12.1 t -43.62 -66.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -42.36 -44.38 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -61.67 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -40.51 -39.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -64.32 -58.65 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 473' ' ' PHE . . . -47.3 -35.32 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 75.1 mt -75.82 -45.3 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -51.14 -35.96 38.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.93 -59.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.592 HD13 HD21 ' A' ' 449' ' ' LEU . 44.9 mt -54.97 -21.16 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -47.61 -19.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -158.59 33.38 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.95 159.65 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -110.24 113.16 25.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.567 ' HB2' HG23 ' A' ' 525' ' ' VAL . 23.9 t80 -84.45 158.13 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.6 85.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.32 17.0 70.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.43 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -150.51 171.15 17.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -114.99 140.01 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 520' ' ' PHE . 75.9 t -108.88 149.43 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.24 108.95 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' ' 515' ' ' LEU . . . -96.02 133.62 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -140.15 174.76 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.39 112.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -76.71 172.1 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.416 ' HB3' ' CG ' ' A' ' 534' ' ' ARG . 42.7 t0 -85.58 105.64 16.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 533' ' ' GLU . 39.2 tt0 -62.88 -50.84 69.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' GLU . . . . . 0.505 ' CD ' ' N ' ' A' ' 534' ' ' ARG . 2.9 tm-20 -34.59 -72.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 533' ' ' GLU . 9.7 ptp180 -53.06 -35.49 59.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -60.49 -20.73 61.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -43.35 -36.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -108.52 121.94 46.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.573 ' O ' HD23 ' A' ' 540' ' ' LEU . 4.4 m -64.0 -15.08 58.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -82.68 55.19 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.648 ' H ' HD23 ' A' ' 540' ' ' LEU . 1.4 pt? -93.48 30.57 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.5 t -121.96 -64.45 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.12 -69.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 4.2 t -103.7 -66.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 54.25 -157.17 6.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.39 30.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.374 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 6.1 t -103.79 132.58 49.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.1 t -66.92 113.43 4.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 53.2 p -112.81 94.93 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 6.3 m -91.78 118.41 30.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 162.19 123.02 0.64 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 63.2 m -142.9 164.77 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 73.2 p -113.11 41.66 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -167.14 73.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -67.16 -51.67 50.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 50.3 mt -89.69 116.72 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.28 80.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -127.55 135.75 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -49.93 149.49 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -134.87 123.86 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLU . . . . . 0.599 ' HG3' ' HB2' ' A' ' 505' ' ' ALA . 0.1 OUTLIER -56.22 173.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 90.0 p -123.85 115.31 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.0 t -116.16 8.63 14.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 535' ' ' PHE . 30.3 t -105.0 127.05 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 449' ' ' LEU . 39.0 ttp -121.33 161.55 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.479 ' N ' ' HG2' ' A' ' 447' ' ' MET . 1.5 p -132.75 124.29 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.495 HD21 ' SD ' ' A' ' 447' ' ' MET . 22.7 mt -105.36 126.12 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -124.48 151.2 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.5 t30 66.56 31.19 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 3.5 ttt -83.04 -59.32 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.433 HG21 HD21 ' A' ' 462' ' ' LEU . 23.4 m -147.19 147.96 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.38 160.11 44.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -1.33 8.23 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -93.47 -6.51 46.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.63 4.07 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.01 112.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -148.11 149.45 32.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -30.53 2.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.5 -43.69 63.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.433 HD21 HG21 ' A' ' 453' ' ' VAL . 34.2 tp -48.52 -51.2 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -41.58 -55.52 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.31 -42.32 99.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -51.11 -51.83 49.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.98 -44.26 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' THR . . . . . 0.711 HG23 HG11 ' A' ' 476' ' ' VAL . 28.4 m -57.15 -41.75 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -64.49 -50.57 66.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.38 -48.2 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 97.2 m -59.34 -33.72 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.08 -33.59 3.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -48.5 66.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.502 ' CE1' ' HA ' ' A' ' 511' ' ' ALA . 38.4 m-85 -60.26 -54.01 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' GLY . . . . . 0.403 ' HA3' ' CD ' ' A' ' 507' ' ' GLU . . . -170.4 -141.92 3.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -93.18 116.43 29.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.711 HG11 HG23 ' A' ' 467' ' ' THR . 98.4 t -72.88 120.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.69 -56.94 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -163.41 158.13 20.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.49 144.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.0 141.37 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.0 105.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.53 129.58 56.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -138.2 152.62 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -172.26 160.26 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -75.46 135.56 40.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -115.62 23.78 12.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -152.62 145.54 13.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.89 -28.5 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 80.7 mm-40 -48.16 136.94 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -56.34 -31.36 63.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -119.14 34.24 5.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 489' ' ' GLU . . . -56.82 170.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -76.41 147.65 37.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 47.2 mm -113.78 111.59 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.727 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.8 pp -80.23 163.45 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 72.7 t -140.4 115.36 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -103.85 114.47 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.08 109.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -88.46 124.49 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.4 108.86 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -106.56 137.3 44.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -107.34 171.37 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 42.7 t -59.8 -48.73 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 507' ' ' GLU . 7.3 pt -115.82 173.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' ALA . . . . . 0.599 ' HB2' ' HG3' ' A' ' 443' ' ' GLU . . . -78.54 -44.66 23.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 8.4 t -45.72 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 504' ' ' ILE . 10.7 mm-40 -44.24 -53.35 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 4.0 m -53.37 -58.86 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -42.68 -40.44 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.37 -54.21 32.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.502 ' HA ' ' CE1' ' A' ' 473' ' ' PHE . . . -49.69 -40.46 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.5 mt -68.09 -52.59 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -47.18 -36.76 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.61 -55.38 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.668 HD23 ' HG3' ' A' ' 518' ' ' ARG . 68.8 mt -69.36 -1.28 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 512' ' ' ILE . 1.4 t-20 -68.81 -10.28 55.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 17.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.668 ' HG3' HD23 ' A' ' 515' ' ' LEU . 10.8 mmm180 -56.96 158.47 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -113.91 109.48 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 34.1 t80 -79.24 158.2 27.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.431 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.95 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 75.4 13.65 82.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -147.71 170.61 17.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -112.11 148.07 34.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 151.27 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 20.6 t -141.32 118.47 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.93 129.13 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -135.61 170.44 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.94 107.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 531' ' ' ASP . 66.5 t80 -67.65 169.37 9.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 530' ' ' TYR . 17.7 m-20 -78.69 119.95 22.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -79.93 -43.45 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -39.57 -55.86 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -72.92 -36.24 67.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.461 ' CD2' HG21 ' A' ' 446' ' ' VAL . 9.6 t80 -47.84 -33.03 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -41.53 -40.61 1.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.85 -179.0 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 18.7 t -84.08 38.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 540' ' ' LEU . 5.2 t0 -42.72 -28.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 539' ' ' ASP . 14.7 mt -36.92 -69.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.7 p -109.85 14.82 23.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -117.52 170.01 9.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.6 t -79.59 -43.42 22.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 165.2 -158.13 30.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 89.0 p -76.81 167.47 21.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 73.2 m -66.59 113.82 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 39.2 m -106.49 150.13 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 63.2 p -137.37 162.96 32.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 80.32 -152.35 34.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 59.9 p -70.91 148.02 48.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 4.3 m -46.4 123.4 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 170.06 141.97 3.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -129.37 -62.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.325 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.57 -61.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 5.0 tp -91.22 133.05 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -133.72 44.43 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -89.36 87.85 7.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -73.02 115.75 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.07 144.19 26.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 21.1 m -118.58 94.84 4.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 t -97.54 26.99 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.82 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.634 ' HB2' HG23 ' A' ' 508' ' ' THR . 53.3 ttp -96.48 153.24 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 528' ' ' GLU . 9.9 p -137.14 137.68 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.584 HD13 ' SD ' ' A' ' 452' ' ' MET . 85.0 mt -114.05 135.74 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ARG . . . . . 0.488 ' CZ ' ' OE2' ' A' ' 528' ' ' GLU . 44.1 mtm180 -128.61 143.71 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 29.62 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.584 ' SD ' HD13 ' A' ' 449' ' ' LEU . 5.1 ttp -86.36 -64.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 462' ' ' LEU . 14.4 m -139.75 132.15 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ASP . . . . . 0.43 ' OD2' ' NH2' ' A' ' 523' ' ' ARG . 2.2 m-20 -62.02 159.67 35.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.618 0.723 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.63 4.22 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -87.85 -19.39 27.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -100.73 13.42 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.16 102.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -130.9 168.22 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.04 -31.67 62.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.13 -39.25 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 453' ' ' VAL . 28.5 tp -49.14 -55.23 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -40.78 -54.24 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.28 -46.87 93.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -53.23 -53.92 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.06 -36.67 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 23.4 m -63.87 -46.88 82.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.23 -23.87 63.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.62 -46.89 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.479 ' SG ' HG11 ' A' ' 500' ' ' VAL . 99.6 m -63.83 -45.48 89.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.543 ' HA2' HG23 ' A' ' 476' ' ' VAL . . . -34.75 -39.24 0.15 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -45.65 -50.22 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 24.2 m-85 -62.42 -45.08 94.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -177.51 -178.77 47.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.543 HG23 ' HA2' ' A' ' 471' ' ' GLY . 84.5 t -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -83.66 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 478' ' ' ARG . 1.4 ptp180 -153.52 164.94 37.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 47.4 t -143.64 126.95 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.07 136.35 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.2 mt -113.9 96.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 540' ' ' LEU . 13.2 t80 -101.69 153.37 19.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.02 136.04 24.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.81 163.18 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -91.22 129.86 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -88.58 26.32 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 175.73 109.39 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -39.3 -33.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -54.72 143.91 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -70.32 -22.54 62.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -80.28 -16.25 55.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -58.67 132.26 53.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.71 142.28 49.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 6.6 mm -96.19 137.6 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.474 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.9 pp -123.27 167.55 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 86.3 t -128.89 123.7 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -98.71 116.03 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.61 122.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.83 134.69 47.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.682 HG12 ' CE1' ' A' ' 502' ' ' PHE . 98.4 t -137.14 108.35 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -104.65 140.5 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.682 ' CE1' HG12 ' A' ' 500' ' ' VAL . 7.8 m-85 -114.8 179.81 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 92.9 p -68.44 -41.54 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.721 HD11 ' HG2' ' A' ' 507' ' ' GLU . 6.7 pt -121.64 173.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.96 -34.37 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.2 t -49.13 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.721 ' HG2' HD11 ' A' ' 504' ' ' ILE . 5.2 mm-40 -46.21 -45.46 16.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.634 HG23 ' HB2' ' A' ' 447' ' ' MET . 81.9 m -55.25 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -44.28 -45.27 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -59.51 -54.44 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.546 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.69 -46.36 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 516' ' ' ASN . 66.9 mt -63.77 -54.1 36.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -49.88 -27.33 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -86.92 -52.42 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.777 HD23 ' HG3' ' A' ' 518' ' ' ARG . 43.1 mt -89.17 19.94 4.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.6 t30 -79.11 -5.9 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -164.78 23.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.777 ' HG3' HD23 ' A' ' 515' ' ' LEU . 9.4 mmt180 -64.53 159.89 20.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -108.63 120.76 43.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 28.1 t80 -92.19 158.46 16.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.536 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.95 86.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.44 13.38 81.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' ARG . . . . . 0.43 ' NH2' ' OD2' ' A' ' 454' ' ' ASP . 66.0 mtt180 -145.84 171.4 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -117.39 140.03 50.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 520' ' ' PHE . 90.3 t -105.47 143.59 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' VAL . . . . . 0.48 HG12 HH21 ' A' ' 450' ' ' ARG . 90.5 t -137.27 107.36 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.61 144.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.499 ' O ' HG12 ' A' ' 448' ' ' VAL . 5.1 pt-20 -159.29 170.72 21.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.37 120.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -72.82 168.96 17.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -81.75 107.96 14.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -45.31 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -41.11 -58.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -70.44 -29.88 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -78.93 44.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.66 -43.58 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -97.66 129.72 44.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 90.0 p -79.8 48.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -129.63 81.76 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 482' ' ' TYR . 4.4 mm? -63.93 -50.0 70.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 8.3 t -54.26 -50.4 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -89.83 118.98 29.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 80.6 p -39.54 -49.67 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 154.03 174.13 23.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -7.08 20.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 67.0 p -55.09 148.98 12.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 41.9 m -108.07 101.66 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 99.0 p -66.2 155.3 37.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 110.882 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 17.3 m -79.2 -56.76 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 135.08 -72.59 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.5 m 43.66 42.38 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.4 m -161.38 156.49 23.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -150.54 150.77 22.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -94.06 152.37 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 438' ' ' LEU . 3.9 mm? -99.02 98.98 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.76 149.72 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -67.45 125.5 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -123.74 82.41 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -109.96 50.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.97 -178.3 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.8 m -65.43 122.21 16.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.902 HG23 ' OE1' ' A' ' 501' ' ' GLU . 11.4 t -109.86 16.09 22.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.553 HG21 ' CG ' ' A' ' 535' ' ' PHE . 59.3 t -118.28 125.85 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.469 ' SD ' ' CD2' ' A' ' 449' ' ' LEU . 8.8 tmm? -119.18 132.69 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.48 137.7 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.469 ' CD2' ' SD ' ' A' ' 447' ' ' MET . 19.8 mt -112.23 130.38 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -124.86 144.05 50.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.0 t30 71.48 36.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 14.2 ttt -89.48 -66.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.679 HG21 HD21 ' A' ' 462' ' ' LEU . 3.6 m -144.23 131.6 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.09 158.52 1.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -0.94 7.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -87.98 -22.75 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.88 4.41 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 28.4 mm -58.53 107.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -137.22 166.73 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.71 -11.55 60.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -87.5 -35.86 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.679 HD21 HG21 ' A' ' 453' ' ' VAL . 17.5 tp -50.42 -63.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' LEU . 7.3 tt0 -34.64 -58.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -53.18 -44.72 64.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -53.88 -60.71 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.77 -32.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 48.3 m -67.34 -52.03 45.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.38 -17.1 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -82.45 -40.24 21.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.439 ' SG ' HG11 ' A' ' 500' ' ' VAL . 28.9 m -73.73 -22.75 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -49.22 -40.33 29.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.435 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -46.54 -47.84 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -61.41 -55.48 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.29 -165.87 29.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -72.96 109.06 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.88 120.05 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.73 -52.65 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 478' ' ' ARG . 4.2 ptm85 -167.39 165.14 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 479' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 499' ' ' PHE . 64.8 t -138.48 142.06 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 45.5 mt -132.09 132.44 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.12 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -108.62 137.85 45.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -141.32 156.78 45.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -174.88 165.1 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.441 ' HD3' ' HB3' ' A' ' 492' ' ' ALA . 22.8 ttmt -83.87 145.71 28.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 486' ' ' GLN . . . . . 0.485 ' HG2' HG23 ' A' ' 495' ' ' ILE . 12.7 mm100 -119.47 26.99 9.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -154.01 151.82 23.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -72.79 -28.84 62.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -52.29 157.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -78.28 -32.69 49.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -105.0 18.69 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.441 ' HB3' ' HD3' ' A' ' 485' ' ' LYS . . . -48.96 161.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -72.55 144.99 47.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 18.8 mm -108.46 118.32 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.799 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.2 pp -82.63 172.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 496' ' ' VAL . . . . . 0.643 ' N ' HD12 ' A' ' 495' ' ' ILE . 88.8 t -151.7 107.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.47 ' HG3' HD13 ' A' ' 495' ' ' ILE . 40.9 mttp -98.75 112.16 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 65.2 mt -97.3 113.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' A' ' 530' ' ' TYR . 47.0 m-85 -94.76 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.439 HG11 ' SG ' ' A' ' 470' ' ' CYS . 83.2 t -133.27 104.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.902 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.9 tp10 -93.44 133.02 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -110.6 176.61 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -46.81 70.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.9 pt -123.08 165.73 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -70.53 -38.0 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 23.2 t -50.22 -62.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -45.69 -43.92 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 27.2 m -62.71 -59.62 4.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -40.85 -40.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -67.16 -58.77 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -43.45 -37.52 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 529' ' ' VAL . 68.7 mt -74.27 -43.62 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.59 -27.6 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -97.22 -53.78 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.63 HD23 ' HG3' ' A' ' 518' ' ' ARG . 29.4 mt -66.2 -4.49 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 0.9 OUTLIER -68.19 -8.5 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.82 19.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.63 ' HG3' HD23 ' A' ' 515' ' ' LEU . 13.0 mmt85 -56.85 157.84 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -109.79 120.71 43.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 522' ' ' GLY . 29.6 t80 -90.66 157.96 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.484 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.37 85.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.95 12.98 78.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -145.28 171.16 14.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.33 143.95 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 526' ' ' VAL . 16.6 t -109.04 156.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 526' ' ' VAL . . . . . 0.426 ' N ' HG12 ' A' ' 525' ' ' VAL . 86.4 t -143.74 105.09 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 527' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 515' ' ' LEU . . . -98.01 127.77 44.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 4.4 tt0 -124.23 163.98 20.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.837 HG22 HD13 ' A' ' 512' ' ' ILE . 25.1 t -90.05 115.08 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' A' ' 499' ' ' PHE . 25.7 t80 -75.13 162.54 28.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -80.71 126.48 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 535' ' ' PHE . 2.6 pp0? -85.33 -43.1 13.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 532' ' ' GLN . 27.1 tt0 -35.47 -39.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -90.2 -32.26 16.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.553 ' CG ' HG21 ' A' ' 446' ' ' VAL . 8.2 t80 -75.86 48.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -98.76 -35.37 10.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 539' ' ' ASP . 0.6 OUTLIER -116.53 136.79 52.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 14.5 t -40.48 -27.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 537' ' ' ASN . 0.5 OUTLIER -85.48 102.75 13.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 3.4 pp -103.36 -28.09 12.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 40.0 t -59.13 -57.28 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -107.79 140.0 41.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.9 t -39.12 156.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -111.18 -158.31 15.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 151.43 69.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 71.7 m -152.26 153.01 32.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 7.1 t -137.53 147.79 45.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 84.4 p -121.09 155.36 34.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 69.6 m -162.55 124.14 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 90.38 -144.71 17.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.0 t -95.85 151.0 19.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 70.4 m -56.38 127.8 32.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 61.8 164.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.542 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' LYS . . . . . 0.639 ' HG2' HD12 ' A' ' 438' ' ' LEU . 0.0 OUTLIER -116.89 -0.85 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.331 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.639 HD12 ' HG2' ' A' ' 437' ' ' LYS . 4.7 mp -107.95 -46.36 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 17.1 mt -51.69 91.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -65.6 102.74 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -44.09 133.24 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -131.5 141.22 49.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.05 153.21 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 3.6 m -65.94 116.8 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 501' ' ' GLU . 14.7 t -107.88 18.74 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.0 106.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -95.04 139.66 31.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.18 140.91 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 20.6 mt -115.93 141.01 48.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -132.64 167.85 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.9 t30 41.2 39.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.525 ' SD ' HD12 ' A' ' 498' ' ' ILE . 14.0 ttt -92.86 -58.2 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.438 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 4.9 m -142.99 144.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.26 159.99 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' PRO . . . . . 0.402 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.9 Cg_endo -69.79 -3.38 11.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -87.25 -38.38 16.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 458' ' ' ILE . 19.8 t70 -65.92 -30.61 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 457' ' ' ASP . 29.8 mm -36.61 118.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -158.99 167.69 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.61 -33.83 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.6 tp -53.35 -55.84 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 462' ' ' LEU . 15.0 tt0 -34.86 -54.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.31 -44.64 95.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.33 -47.22 72.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.03 -40.5 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.5 m -56.09 -42.83 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.0 -50.71 46.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -46.95 -48.29 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.451 ' SG ' HG11 ' A' ' 500' ' ' VAL . 59.0 m -65.99 -28.9 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.15 -29.91 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 23.2 m-85 -48.45 -62.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -162.89 -162.96 14.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.439 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -76.92 111.8 12.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.64 121.86 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -89.74 -59.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -137.54 151.31 48.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.86 113.71 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' ILE . . . . . 0.512 HG21 ' HG ' ' A' ' 540' ' ' LEU . 22.0 mt -128.53 141.69 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.27 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.571 ' CE1' ' O ' ' A' ' 540' ' ' LEU . 10.2 t80 -94.53 152.1 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -143.22 139.93 30.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 3.9 tp10 -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.635 ' HG3' HD13 ' A' ' 494' ' ' ILE . 21.5 tttt -83.49 139.42 32.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -88.89 24.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.86 0.72 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.458 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -52.33 -25.68 10.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.52 129.08 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -61.15 -17.39 52.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -81.04 -19.42 43.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -64.36 156.2 29.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -101.34 151.12 22.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.635 HD13 ' HG3' ' A' ' 485' ' ' LYS . 18.2 mm -93.99 98.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.764 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.8 pp -82.65 166.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 98.3 t -129.94 125.43 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -105.37 112.28 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' ILE . . . . . 0.525 HD12 ' SD ' ' A' ' 452' ' ' MET . 77.5 mt -97.97 116.28 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -96.78 118.27 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.451 HG11 ' SG ' ' A' ' 470' ' ' CYS . 75.1 t -122.21 103.26 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 445' ' ' THR . 44.2 tt0 -94.57 144.83 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -115.77 166.78 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 33.4 p -56.52 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.5 pt -121.22 164.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.67 -46.78 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 11.0 t -44.18 -54.53 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -43.39 70.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 96.4 m -56.1 -54.98 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -51.11 -46.47 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -54.17 -58.24 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.81 -42.07 25.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.06 -51.39 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -55.49 -27.29 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.73 -49.25 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.493 HD23 ' HG3' ' A' ' 518' ' ' ARG . 11.0 mt -91.77 22.95 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 1.5 t-20 -86.43 -1.66 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -169.25 24.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.493 ' HG3' HD23 ' A' ' 515' ' ' LEU . 11.7 mmt180 -65.83 158.58 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -105.66 120.85 42.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.581 ' HB2' HG23 ' A' ' 525' ' ' VAL . 28.2 t80 -91.73 158.26 16.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.425 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.72 89.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.27 11.3 85.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -143.93 171.35 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -116.57 135.36 53.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 520' ' ' PHE . 85.3 t -99.12 150.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 19.7 t -140.01 117.84 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 528' ' ' GLU . . . -100.96 160.43 14.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 527' ' ' ALA . 30.4 mt-10 -164.49 171.54 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 529' ' ' VAL . 8.0 p -106.81 116.73 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -84.74 170.05 13.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.8 102.41 9.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.434 ' C ' ' OE1' ' A' ' 532' ' ' GLN . 2.5 pp0? -68.34 -21.8 64.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.1 -42.27 98.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -88.07 -19.76 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -57.62 -27.1 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -45.06 -43.66 9.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -61.3 113.33 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 19.3 t -81.98 42.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.8 86.38 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.571 ' O ' ' CE1' ' A' ' 482' ' ' TYR . 4.3 mm? -75.56 -27.49 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 52.9 p -67.01 -175.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -75.72 53.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.6 m -154.9 167.33 30.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 151.7 -158.09 27.57 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 108.95 2.2 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.67 2.246 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 58.8 m -75.65 150.82 37.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 7.6 t -144.67 115.75 7.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 30.5 t -157.98 142.24 16.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 66.9 p -160.46 149.97 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.809 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 152.5 165.11 12.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 38.3 m -88.17 -55.86 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 82.5 p -61.88 161.89 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -151.09 -41.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -133.89 110.42 9.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.741 ' N ' HD13 ' A' ' 438' ' ' LEU . 0.0 OUTLIER -105.64 26.76 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 61.4 mt -47.0 115.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -110.98 148.08 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -49.65 94.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -127.01 -178.38 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 505' ' ' ALA . 63.3 mm-40 -61.17 -178.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 97.0 p -61.88 110.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.759 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.4 t -111.37 13.14 21.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.864 HG21 ' CD2' ' A' ' 535' ' ' PHE . 42.1 t -110.95 129.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 33.4 ttp -121.08 139.26 53.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 528' ' ' GLU . 7.8 p -114.17 128.91 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.07 135.47 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 451' ' ' ASN . 76.2 mtp180 -130.16 175.82 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 450' ' ' ARG . 1.2 t30 37.38 43.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 5.0 ttt -99.78 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.439 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.6 m -140.4 133.34 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.29 159.31 4.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -1.9 9.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -89.93 -35.03 15.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.33 11.59 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.41 108.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -133.55 153.36 51.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 460' ' ' ASP . 0.0 OUTLIER -46.45 -31.89 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -43.74 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 18.4 tp -43.4 -61.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -39.18 -52.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.75 89.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -51.35 -47.66 62.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.17 -45.34 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 74.6 m -55.75 -44.57 77.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.93 -51.46 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -56.19 -31.42 63.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.517 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 93.7 m -76.88 -27.96 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -54.18 -35.15 54.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.43 -47.07 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 470' ' ' CYS . 24.6 m-85 -58.23 -54.58 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -169.18 -134.51 1.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -105.08 111.39 24.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.39 125.87 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.83 -52.75 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -157.14 171.22 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.0 t -146.0 141.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 14.6 mt -121.97 138.67 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 90.4 mt -113.64 92.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -93.15 122.58 35.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -146.39 106.89 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 5.2 tp10 -153.91 158.67 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.607 ' HE3' HD11 ' A' ' 494' ' ' ILE . 17.7 ttmt -67.89 135.36 52.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -95.47 26.93 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 174.69 119.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -44.77 -30.36 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.35 121.9 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -50.64 -30.59 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.78 -30.18 71.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -55.04 126.64 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 3.5 tp10 -80.45 154.25 27.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.607 HD11 ' HE3' ' A' ' 485' ' ' LYS . 22.2 mm -88.5 125.31 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.74 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -101.36 174.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 96.5 t -148.65 116.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -110.03 114.11 27.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.6 mt -97.07 112.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.632 ' CZ ' HD11 ' A' ' 540' ' ' LEU . 44.5 m-85 -96.79 130.73 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 97.4 t -124.47 108.22 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.759 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.3 tp10 -95.47 134.66 38.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -111.85 -178.7 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 21.2 t -73.42 -49.52 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.459 HD11 ' HG2' ' A' ' 507' ' ' GLU . 23.3 pt -113.96 172.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' ALA . . . . . 0.43 ' CB ' ' HB2' ' A' ' 443' ' ' GLU . . . -78.49 -42.5 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 504' ' ' ILE . 3.3 mm-40 -44.05 -49.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 23.7 m -56.19 -53.18 60.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -47.12 -43.24 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -61.62 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -43.3 -35.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.9 mt -75.39 -54.59 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -45.61 -28.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -93.62 -61.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.61 -10.41 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 512' ' ' ILE . 25.7 t30 -72.93 -0.01 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.78 25.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -70.03 153.03 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -102.91 115.04 29.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.596 ' HB2' HG23 ' A' ' 525' ' ' VAL . 15.8 t80 -85.38 157.86 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.91 85.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.06 21.82 64.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -155.36 171.12 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -111.86 141.62 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.596 HG23 ' HB2' ' A' ' 520' ' ' PHE . 93.5 t -107.77 155.1 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 526' ' ' VAL . . . . . 0.459 ' N ' HG12 ' A' ' 525' ' ' VAL . 63.6 t -143.18 125.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -117.42 125.26 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 21.3 tt0 -110.07 167.09 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 529' ' ' VAL . 12.0 p -102.74 112.02 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -83.04 101.91 11.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.44 162.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 535' ' ' PHE . 10.2 tm0? -71.12 -58.58 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 532' ' ' GLN . 4.7 pt-20 -34.39 -60.26 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -59.13 -36.06 74.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.864 ' CD2' HG21 ' A' ' 446' ' ' VAL . 11.3 t80 -76.59 3.06 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.461 ' OD1' ' C ' ' A' ' 536' ' ' ASP . 16.4 t0 -41.9 -49.81 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.22 127.52 37.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 54.3 p -50.65 -19.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.22 143.93 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.632 HD11 ' CZ ' ' A' ' 499' ' ' PHE . 0.1 OUTLIER -119.37 32.83 5.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 14.2 m -101.81 178.62 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.5 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 1.2 t -82.72 170.76 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 128.58 -168.67 20.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 157.51 60.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 2.6 m -141.02 152.24 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 9.3 t -171.58 156.23 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.49 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 31.0 m -82.83 90.84 6.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.804 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 4.4 m -73.66 169.38 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 56.51 161.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 65.8 m -152.43 134.82 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.88 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 61.8 m -126.72 161.72 27.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 65.4 141.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -65.61 89.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 438' ' ' LEU . 0.7 OUTLIER -69.66 -13.29 62.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 6.5 mt -90.33 93.8 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.415 ' H ' ' CD ' ' A' ' 440' ' ' ARG . 0.0 OUTLIER -40.9 155.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -80.58 123.0 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -95.84 154.94 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLU . . . . . 0.625 ' CG ' ' HB2' ' A' ' 505' ' ' ALA . 1.2 pm0 -99.84 143.19 30.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 88.4 p -79.36 108.89 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.786 HG23 ' OE1' ' A' ' 501' ' ' GLU . 6.0 t -120.7 11.69 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.438 HG22 ' CD ' ' A' ' 501' ' ' GLU . 95.0 t -111.26 106.94 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.419 ' HG2' ' N ' ' A' ' 448' ' ' VAL . 36.1 ttp -101.04 154.12 18.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 447' ' ' MET . 4.2 p -125.85 135.0 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 25.1 mt -110.65 136.89 49.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -129.36 146.89 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 64.24 45.39 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.403 ' O ' HG13 ' A' ' 453' ' ' VAL . 13.2 ttt -88.39 -53.22 4.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.615 ' CG1' ' CZ ' ' A' ' 520' ' ' PHE . 2.4 m -155.0 147.45 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ASP . . . . . 0.467 ' CG ' ' HD2' ' A' ' 455' ' ' PRO . 2.0 t70 -42.07 143.19 1.04 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 454' ' ' ASP . 53.4 Cg_endo -69.75 5.35 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -105.86 -20.65 13.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.76 -11.28 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.5 mm -53.01 117.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -140.83 161.95 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -41.86 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.65 -36.23 73.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.0 tp -47.82 -58.64 4.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 462' ' ' LEU . 20.4 tt0 -37.42 -51.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.44 -46.42 94.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.45 -40.73 68.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.41 -43.46 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 99.4 m -54.63 -43.11 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.98 -40.38 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.43 -33.95 73.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.602 ' SG ' HG11 ' A' ' 500' ' ' VAL . 68.6 m -87.3 -28.16 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.51 -39.64 5.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.07 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 470' ' ' CYS . 12.0 m-85 -38.8 -53.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -172.94 -170.65 36.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.36 114.4 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 470' ' ' CYS . 67.6 t -80.59 126.11 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -76.76 -48.91 17.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -172.46 173.69 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.8 t -146.24 124.82 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 540' ' ' LEU . 44.0 mt -113.36 122.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.48 110.86 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -119.59 134.78 55.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -143.57 130.75 20.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -160.46 136.71 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.823 ' HD3' ' HB3' ' A' ' 492' ' ' ALA . 5.4 ttmm -51.71 156.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -113.57 22.58 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -168.08 114.51 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -42.0 -30.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -49.35 162.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.41 -15.48 27.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.09 -19.75 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.823 ' HB3' ' HD3' ' A' ' 485' ' ' LYS . . . -53.38 139.8 29.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 4.2 tp10 -80.01 157.69 26.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.544 HD13 ' HG3' ' A' ' 485' ' ' LYS . 24.7 mm -95.56 128.18 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.715 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -94.86 166.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 496' ' ' VAL . . . . . 0.46 ' N ' HD12 ' A' ' 495' ' ' ILE . 91.5 t -140.24 113.47 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.413 ' HG3' HD13 ' A' ' 495' ' ' ILE . 43.8 mttp -109.86 116.93 32.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 69.1 mt -103.77 127.3 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.64 126.28 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.793 HG12 ' CE1' ' A' ' 502' ' ' PHE . 45.8 t -121.82 101.7 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.786 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.7 tp10 -96.09 129.32 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.793 ' CE1' HG12 ' A' ' 500' ' ' VAL . 48.2 m-85 -109.62 -177.68 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -41.28 29.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 21.8 pt -128.26 159.98 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 505' ' ' ALA . . . . . 0.625 ' HB2' ' CG ' ' A' ' 443' ' ' GLU . . . -65.88 -38.5 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.4 t -47.28 -64.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -44.29 -46.18 9.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.603 HG22 HD11 ' A' ' 512' ' ' ILE . 19.5 m -61.72 -51.55 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -45.69 -47.88 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.75 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.551 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -39.98 -36.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 508' ' ' THR . 62.8 mt -75.33 -57.01 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -42.39 -29.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.43 -58.56 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 511' ' ' ALA . 14.6 mt -57.7 -11.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -60.35 -11.32 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -156.88 16.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.428 ' CG ' ' HA ' ' A' ' 515' ' ' LEU . 14.0 mmt180 -55.69 153.31 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -108.28 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.615 ' CZ ' ' CG1' ' A' ' 453' ' ' VAL . 42.3 t80 -87.7 158.13 18.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.06 84.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 81.01 20.38 65.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -151.51 166.82 29.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -106.4 146.43 30.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 43.1 t -115.3 142.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 42.9 t -135.77 118.28 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' ALA . . . . . 0.414 ' C ' ' HG2' ' A' ' 528' ' ' GLU . . . -105.7 140.48 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 448' ' ' VAL . 5.4 mm-40 -145.45 158.73 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 39.2 t -84.78 125.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -98.37 133.95 42.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -51.53 153.82 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 535' ' ' PHE . 46.9 mt-30 -101.15 -50.15 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -39.68 -51.37 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -73.0 -24.12 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 532' ' ' GLN . 54.3 t80 -82.86 36.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -84.75 -49.88 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -67.98 118.64 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 73.5 m -84.23 42.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -164.02 105.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.431 HD12 HG21 ' A' ' 480' ' ' ILE . 13.4 mt -88.2 43.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 12.0 t -126.83 170.52 12.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -43.93 -58.13 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.2 t -81.57 120.19 24.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -132.81 -177.04 14.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.68 5.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 7.5 t -54.1 -56.47 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 62.8 p -155.2 137.67 15.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.796 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 13.3 m -155.32 175.8 13.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 25.6 p -108.9 -58.02 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 53.83 99.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.444 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 34.6 p -162.15 156.57 22.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 56.9 m -141.14 138.71 33.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 71.58 93.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -82.71 91.18 6.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.19 -61.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 31.2 mt -89.03 170.91 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -101.25 110.66 22.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -96.94 167.1 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -92.97 112.84 24.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -40.38 154.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 13.4 p -53.74 104.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.5 t -98.55 13.07 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.92 115.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -105.54 151.77 23.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 528' ' ' GLU . 7.5 p -129.6 133.64 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 43.7 mt -103.43 140.37 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -130.93 158.11 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.1 t30 51.07 31.2 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.3 ttt -76.2 -69.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.58 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.2 m -142.03 131.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -51.04 158.55 1.18 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' PRO . . . . . 0.408 ' C ' HG12 ' A' ' 458' ' ' ILE . 53.7 Cg_endo -69.76 2.36 3.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -87.68 -32.18 19.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.82 17.36 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.408 HG12 ' C ' ' A' ' 455' ' ' PRO . 20.4 mm -70.25 114.49 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.415 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 58.7 m-20 -143.34 158.92 43.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -34.71 68.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.415 ' OD1' ' CB ' ' A' ' 459' ' ' ASP . 5.8 p-10 -63.26 -41.66 99.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 463' ' ' GLU . 32.1 tp -39.44 -59.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' LEU . 27.1 tt0 -36.26 -48.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.52 95.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 462' ' ' LEU . 27.7 mt-10 -57.68 -37.54 73.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.33 -39.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 80.9 m -64.56 -49.54 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.41 -48.69 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.74 -44.1 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.524 ' SG ' HG11 ' A' ' 500' ' ' VAL . 74.0 m -72.04 -31.55 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -50.67 -42.43 44.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -43.85 -56.53 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 28.1 m-85 -50.79 -55.52 16.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -165.6 -160.91 13.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.18 112.82 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.32 139.33 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.63 -51.98 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -147.13 151.69 37.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.93 116.32 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.1 mt -134.76 139.67 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 50.7 mt -122.0 108.24 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 540' ' ' LEU . 9.1 t80 -110.55 149.52 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -144.62 147.06 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -161.73 164.78 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.462 ' HD2' ' HB3' ' A' ' 492' ' ' ALA . 5.3 ttpm? -87.49 141.76 28.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -114.75 24.51 11.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -150.85 150.62 22.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.12 -31.64 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.616 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 10.1 mm-40 -44.29 128.65 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.88 -19.76 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.0 24.77 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 489' ' ' GLU . . . -53.17 172.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.94 147.23 48.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.7 mm -115.91 106.74 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.678 HD12 ' C ' ' A' ' 495' ' ' ILE . 2.3 pp -85.02 176.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 92.5 t -146.69 112.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -95.96 117.02 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.83 117.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -94.49 139.12 31.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.524 HG11 ' SG ' ' A' ' 470' ' ' CYS . 70.4 t -142.34 106.14 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -95.69 138.38 33.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.84 165.76 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 60.4 p -56.77 -43.66 81.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.4 pt -126.62 171.44 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.99 -41.78 63.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 9.9 t -47.78 -66.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -42.59 -42.98 3.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 8.9 m -57.31 -68.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -39.74 -39.88 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -61.44 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.538 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -45.39 -41.9 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.76 -62.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -45.58 -29.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.97 -49.71 9.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.13 28.89 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -89.77 -4.33 57.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.99 23.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -65.79 157.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -106.26 119.91 40.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.58 ' CZ ' HG12 ' A' ' 453' ' ' VAL . 33.4 t80 -89.55 157.96 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.93 83.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.69 15.98 66.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -149.56 171.19 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -118.26 135.26 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 520' ' ' PHE . 90.9 t -100.73 148.81 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 22.2 t -141.02 108.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.28 147.35 23.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.41 ' HG3' ' CG1' ' A' ' 448' ' ' VAL . 19.3 pt-20 -162.81 177.26 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 64.8 t -94.72 132.13 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -93.97 169.32 10.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -69.54 99.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -69.67 -31.41 69.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -53.29 -51.68 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -80.77 -38.3 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 536' ' ' ASP . 71.3 t80 -41.26 -38.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 535' ' ' PHE . 4.6 t70 -37.85 -41.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' ASN . . . . . 0.437 ' CG ' ' HD2' ' A' ' 545' ' ' PRO . 12.8 t30 -73.14 101.91 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 32.0 t -79.35 45.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.78 46.49 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.465 ' HB3' ' CE1' ' A' ' 482' ' ' TYR . 4.5 mp -41.31 -55.58 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 50.3 m -38.7 -51.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -88.85 163.69 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.4 t -55.43 -46.86 76.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 111.0 161.77 17.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 537' ' ' ASN . 53.8 Cg_endo -69.81 -175.67 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 3.4 t -108.69 161.05 15.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 74.9 m -142.99 144.56 32.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 64.2 m -114.78 43.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 28.9 p -107.57 140.04 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.65 143.76 6.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 52.8 p -149.9 117.2 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.1 m -89.43 171.53 9.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 170.98 143.5 4.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -56.39 137.55 52.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.354 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.17 128.45 40.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 5.1 tp -77.66 -32.26 53.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.08 168.39 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -93.26 117.17 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 443' ' ' GLU . 4.6 tt0 -78.8 162.42 26.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 442' ' ' GLN . 6.9 pt-20 -34.97 134.66 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.1 p -97.26 85.87 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.4 t -92.68 16.14 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 69.0 t -103.79 112.6 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.609 ' HB2' HG23 ' A' ' 508' ' ' THR . 38.4 ttp -99.34 159.88 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.729 HG13 ' OE2' ' A' ' 528' ' ' GLU . 2.5 p -137.62 129.74 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 45.1 mt -108.55 127.69 54.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ARG . . . . . 0.444 ' NE ' HG11 ' A' ' 526' ' ' VAL . 1.5 ptm180 -132.0 146.11 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 524' ' ' LYS . 48.1 t30 74.0 24.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 6.1 ttt -89.27 -59.44 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.419 HG21 HD21 ' A' ' 462' ' ' LEU . 11.0 m -139.46 157.31 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -82.99 161.39 58.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' PRO . . . . . 0.469 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.3 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -90.9 -38.73 12.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.7 -20.23 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 44.5 mm -48.16 124.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -163.96 166.97 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.9 -23.33 18.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.78 -43.45 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 453' ' ' VAL . 25.1 tp -58.74 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -37.72 -49.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.48 -46.92 65.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.79 -46.44 67.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.31 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 31.2 m -52.91 -50.39 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -68.0 -51.83 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.39 -40.01 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.414 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 80.5 m -74.87 -37.58 62.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.52 -26.72 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -60.29 -54.53 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.507 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 38.5 m-85 -49.68 -43.98 47.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -179.34 -137.7 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -97.6 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.3 t -78.66 117.53 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -75.92 -52.97 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.864 ' CZ ' HD11 ' A' ' 480' ' ' ILE . 9.3 ptm180 -164.02 158.69 19.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 77.7 t -126.03 147.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' ILE . . . . . 0.864 HD11 ' CZ ' ' A' ' 478' ' ' ARG . 70.2 mt -144.23 137.3 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 47.7 mt -117.33 106.52 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.62 139.45 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.31 123.62 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -134.51 153.14 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -66.34 126.45 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -106.06 27.92 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 487' ' ' GLY . . . . . 0.683 ' HA3' ' HB1' ' A' ' 492' ' ' ALA . . . -165.08 135.53 3.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.7 -39.16 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -38.47 137.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -45.89 -43.52 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -110.68 35.37 3.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.683 ' HB1' ' HA3' ' A' ' 487' ' ' GLY . . . -52.24 169.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.63 153.07 35.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.32 139.08 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.748 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.0 pp -106.32 176.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 93.0 t -152.33 106.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -101.74 110.08 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.37 109.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.631 ' CE1' HD12 ' A' ' 540' ' ' LEU . 72.3 m-85 -88.22 128.96 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.487 HG12 ' CE1' ' A' ' 502' ' ' PHE . 68.8 t -125.61 100.2 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.2 tp10 -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.487 ' CE1' HG12 ' A' ' 500' ' ' VAL . 42.7 m-85 -105.0 -178.78 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.4 t -76.64 -39.54 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 12.1 pt -128.23 148.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.51 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 28.1 t -51.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -44.75 -44.12 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 447' ' ' MET . 38.5 m -57.62 -58.55 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -44.66 -44.1 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.53 -61.54 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.07 -34.4 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 516' ' ' ASN . 93.2 mt -70.55 -57.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.9 -27.27 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.78 -53.53 5.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 527' ' ' ALA . 16.5 mt -91.13 24.23 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 516' ' ' ASN . 2.4 t-20 -85.04 0.13 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -178.75 39.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 518' ' ' ARG . 3.2 mmp_? -77.92 166.65 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -110.07 103.4 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.489 ' HB2' HG22 ' A' ' 525' ' ' VAL . 32.0 t80 -79.08 157.98 27.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.89 96.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.064 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 66.11 29.74 75.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.527 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 27.9 mtp180 -162.01 164.67 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 524' ' ' LYS . . . . . 0.463 ' O ' ' ND2' ' A' ' 451' ' ' ASN . 11.7 tptm -102.85 143.66 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.489 HG22 ' HB2' ' A' ' 520' ' ' PHE . 21.9 t -102.05 144.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 526' ' ' VAL . . . . . 0.444 HG11 ' NE ' ' A' ' 450' ' ' ARG . 61.9 t -134.8 119.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 527' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 515' ' ' LEU . . . -124.86 138.12 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.729 ' OE2' HG13 ' A' ' 448' ' ' VAL . 2.5 pm0 -158.54 160.01 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 529' ' ' VAL . 10.8 p -86.75 119.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 534' ' ' ARG . 1.6 t80 -70.09 174.7 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -99.28 123.37 43.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 533' ' ' GLU . 12.8 tt0 -52.34 -52.18 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 533' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 532' ' ' GLN . 27.8 tt0 -31.9 -76.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 530' ' ' TYR . 1.7 ptp180 -48.94 -37.1 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 532' ' ' GLN . 34.7 t80 -75.64 48.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.62 -39.57 9.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -114.73 -179.41 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 4.8 m -82.22 43.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -131.77 93.16 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.631 HD12 ' CE1' ' A' ' 499' ' ' PHE . 4.0 mm? -81.21 43.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.0 t -134.0 -177.51 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -85.24 47.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 84.5 p -169.74 171.54 7.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 170.41 -178.08 43.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 84.24 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.65 2.234 . . . . 0.0 112.386 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 1.2 t 69.61 30.93 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -51.28 104.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 3.3 m -109.49 92.75 4.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 36.4 p -42.2 154.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 125.76 166.75 12.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 7.0 m -55.97 -46.89 78.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 36.7 t -56.08 103.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 111.03 55.88 0.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.442 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -134.07 172.35 12.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 3.8 mp -44.8 128.98 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 10.0 tp -82.59 40.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 441' ' ' LYS . 0.0 OUTLIER -74.15 133.64 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 441' ' ' LYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 440' ' ' ARG . 47.3 mtmt -43.92 106.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -79.77 114.04 18.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -98.37 108.34 21.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 65.8 m -72.04 112.4 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -103.2 13.73 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 59.1 t -108.07 116.69 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.597 ' CE ' HD21 ' A' ' 449' ' ' LEU . 31.2 ttp -106.17 139.84 40.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.524 HG21 ' HE2' ' A' ' 497' ' ' LYS . 11.6 p -109.02 134.1 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.597 HD21 ' CE ' ' A' ' 447' ' ' MET . 15.3 mt -112.96 138.05 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ARG . . . . . 0.513 HH21 HG12 ' A' ' 526' ' ' VAL . 53.1 mtm180 -132.95 173.49 11.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 30.4 t30 37.36 45.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 21.5 ttt -102.46 -64.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.592 HG21 HD21 ' A' ' 462' ' ' LEU . 3.9 m -135.95 127.8 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -50.55 159.8 0.84 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' PRO . . . . . 0.417 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.8 Cg_endo -69.78 -3.74 12.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -86.72 -31.17 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.78 13.57 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 455' ' ' PRO . 44.5 mm -75.34 101.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -139.1 164.43 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.7 -38.49 78.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.29 -41.72 93.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.592 HD21 HG21 ' A' ' 453' ' ' VAL . 28.5 tp -52.37 -51.89 56.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -39.01 -52.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.09 -44.15 96.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.03 -51.16 44.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.0 -40.98 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 93.5 m -58.22 -45.18 88.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.34 -30.52 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.42 -48.5 69.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLY . 71.0 m -64.81 -34.69 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -36.26 -41.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.92 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -44.89 -55.14 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 474' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 507' ' ' GLU . . . -169.7 -169.91 33.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.95 114.8 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.99 125.67 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -90.29 -60.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -142.33 150.17 40.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.96 112.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 19.0 mt -127.31 130.3 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 45.8 mt -106.33 103.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.466 ' O ' HG13 ' A' ' 496' ' ' VAL . 23.1 t80 -104.33 150.34 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -145.56 162.27 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 484' ' ' GLU . . . . . 0.459 ' O ' ' NE2' ' A' ' 486' ' ' GLN . 15.0 tp10 -167.87 162.81 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.408 ' HE3' ' C ' ' A' ' 488' ' ' GLU . 9.8 ttpt -98.9 130.1 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 486' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 484' ' ' GLU . 2.9 mp0 -89.05 23.83 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 487' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 489' ' ' GLU . . . 174.78 109.99 0.25 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 487' ' ' GLY . 36.1 tt0 -37.31 -28.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 487' ' ' GLY . 26.9 mt-10 -63.64 138.02 58.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.02 -32.42 72.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -68.31 -27.35 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -46.91 147.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.18 142.7 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 32.2 mm -112.47 101.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.726 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.9 pp -94.69 155.71 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 496' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 482' ' ' TYR . 54.7 t -123.91 140.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.524 ' HE2' HG21 ' A' ' 448' ' ' VAL . 7.6 mtpm? -116.22 106.23 13.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 50.5 mt -90.72 123.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -96.51 123.17 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.618 HG12 ' CE1' ' A' ' 502' ' ' PHE . 55.2 t -122.63 101.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -98.87 132.95 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.618 ' CE1' HG12 ' A' ' 500' ' ' VAL . 56.3 m-85 -108.76 165.97 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.4 m -62.76 -24.55 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.45 HD12 ' HB2' ' A' ' 506' ' ' SER . 17.6 pt -144.21 149.98 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.04 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' SER . . . . . 0.45 ' HB2' HD12 ' A' ' 504' ' ' ILE . 26.2 m -45.54 -62.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.428 ' CD ' ' HA3' ' A' ' 474' ' ' GLY . 96.3 mt-10 -48.65 -36.1 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 15.0 m -66.22 -58.08 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -45.1 -46.17 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.67 -66.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -39.9 -30.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 514' ' ' ALA . 81.3 mt -80.93 -60.39 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -43.31 -23.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 512' ' ' ILE . . . -99.74 -57.97 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.937 HD23 ' HG3' ' A' ' 518' ' ' ARG . 29.6 mt -62.51 -7.97 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -62.26 -9.99 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.91 40.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.937 ' HG3' HD23 ' A' ' 515' ' ' LEU . 9.1 mmm180 -73.18 162.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -113.2 114.07 26.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.576 ' HB2' HG23 ' A' ' 525' ' ' VAL . 36.5 t80 -86.62 158.32 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.23 84.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.84 14.2 75.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -147.4 171.46 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -113.49 141.57 46.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 520' ' ' PHE . 76.2 t -110.01 151.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 526' ' ' VAL . . . . . 0.513 HG12 HH21 ' A' ' 450' ' ' ARG . 83.7 t -134.82 119.84 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -115.68 144.76 43.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.48 ' HG3' HG12 ' A' ' 448' ' ' VAL . 7.7 pt-20 -159.08 161.83 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.85 151.57 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 531' ' ' ASP . 83.7 t80 -119.86 166.7 12.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.511 ' N ' ' CG ' ' A' ' 530' ' ' TYR . 4.5 m-20 -73.5 80.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 533' ' ' GLU . 14.4 tt0 -44.37 -58.9 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 532' ' ' GLN . 39.2 tt0 -35.93 -44.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 536' ' ' ASP . 39.8 mmm-85 -63.21 -52.51 61.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 534' ' ' ARG . 31.1 t80 -36.14 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 536' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 534' ' ' ARG . 7.7 t0 -49.06 -62.26 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 537' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 534' ' ' ARG . 1.3 p30 -47.43 -51.59 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 8.3 t 67.85 42.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.38 78.13 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 482' ' ' TYR . 4.8 mt -86.89 -42.53 13.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 32.9 p -79.79 -45.66 18.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -83.53 165.55 19.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 40.5 m -59.44 -46.43 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 125.7 -159.15 20.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 104.65 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 67.2 m -128.94 156.03 44.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 3.7 m -93.62 -60.95 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 28.0 p -127.39 165.87 18.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 4.7 t -157.06 133.64 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -163.96 -81.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 60.9 p -60.04 -32.19 70.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.1 p -95.74 129.55 42.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -150.78 157.86 27.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.6 115.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.47 -55.03 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.33 115.04 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -41.12 139.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -77.9 129.33 35.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -124.05 90.26 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 505' ' ' ALA . 0.1 OUTLIER -102.28 -177.98 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 48.0 t -78.75 95.42 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.4 t -88.89 9.26 25.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 501' ' ' GLU . 13.0 t -108.97 107.48 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.434 ' CG ' ' N ' ' A' ' 448' ' ' VAL . 26.0 ttp -98.52 159.79 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 528' ' ' GLU . 10.5 p -133.95 139.57 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 69.0 mt -115.51 127.66 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -120.29 134.38 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 17.7 t30 71.88 46.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.499 ' HG2' HG13 ' A' ' 453' ' ' VAL . 14.0 ttt -95.11 -61.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.749 HG21 HD21 ' A' ' 462' ' ' LEU . 25.4 m -135.18 137.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.6 158.09 61.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -17.27 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -96.76 13.17 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 43.0 mm -60.13 102.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -138.96 162.89 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -74.17 -37.23 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.749 HD21 HG21 ' A' ' 453' ' ' VAL . 33.7 tp -53.08 -52.97 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.5 -57.56 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -57.96 -41.61 94.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.55 -50.31 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.19 -41.11 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 70.9 m -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -70.77 -25.66 63.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.95 -55.35 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.539 ' SG ' HG11 ' A' ' 500' ' ' VAL . 99.2 m -55.45 -33.92 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -43.51 -37.28 3.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -47.0 -44.97 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 32.2 m-85 -66.43 -47.78 72.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -175.97 -154.26 11.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -81.42 109.41 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.48 132.38 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 477' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 6.5 t-20 -85.52 -58.82 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -163.61 165.6 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -137.16 141.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 46.9 mt -134.2 133.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 56.2 mt -106.07 105.75 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -108.4 130.31 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -144.4 140.44 29.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -162.39 157.02 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -83.69 139.86 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -117.83 16.01 14.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 487' ' ' GLY . . . . . 0.601 ' HA3' ' HB1' ' A' ' 492' ' ' ALA . . . -133.95 130.58 5.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -56.08 -32.85 64.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 27.9 mm-40 -50.76 134.51 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.46 -29.45 35.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.78 25.82 10.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.601 ' HB1' ' HA3' ' A' ' 487' ' ' GLY . . . -51.03 -176.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.412 ' O ' HD13 ' A' ' 494' ' ' ILE . 9.3 tp10 -75.76 155.58 35.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 493' ' ' GLU . 16.1 mm -131.48 107.78 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.731 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -87.85 163.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -139.46 105.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -95.67 116.43 28.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.54 142.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -115.39 132.6 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.587 HG12 ' CE1' ' A' ' 502' ' ' PHE . 54.7 t -134.3 100.57 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.543 ' HG3' HG22 ' A' ' 446' ' ' VAL . 12.0 tt0 -100.77 136.18 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.587 ' CE1' HG12 ' A' ' 500' ' ' VAL . 41.7 m-85 -111.46 173.02 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 27.0 t -60.48 -52.99 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.44 HD11 ' HG2' ' A' ' 507' ' ' GLU . 22.2 pt -112.63 169.54 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 505' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 443' ' ' GLU . . . -76.33 -38.8 55.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -47.78 -60.76 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.44 ' HG2' HD11 ' A' ' 504' ' ' ILE . 14.5 mm-40 -47.66 -44.86 27.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 94.7 m -54.85 -60.6 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -45.67 -46.09 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -55.51 -63.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.539 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.27 -45.96 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.401 ' CG1' ' SD ' ' A' ' 447' ' ' MET . 95.7 mt -58.2 -61.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -45.93 -29.49 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -45.84 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 518' ' ' ARG . 6.5 mt -95.84 23.69 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -83.06 -3.75 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.49 22.56 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.505 ' HG3' HD23 ' A' ' 515' ' ' LEU . 6.9 mmp_? -64.73 159.87 21.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 524' ' ' LYS . 36.7 m95 -116.74 102.76 9.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 522' ' ' GLY . 20.9 t80 -80.13 160.25 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.82 89.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 68.01 28.45 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 520' ' ' PHE . 35.8 mmt180 -154.22 120.18 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 524' ' ' LYS . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 519' ' ' TRP . 19.0 tttm -77.84 116.92 18.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 28.3 t -79.8 148.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 39.7 t -142.98 104.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.84 138.61 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.505 ' O ' HG12 ' A' ' 448' ' ' VAL . 8.7 pt-20 -155.31 174.55 15.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.29 145.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.532 ' CG ' ' N ' ' A' ' 531' ' ' ASP . 66.3 t80 -121.16 168.76 11.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 530' ' ' TYR . 12.9 m-20 -33.9 95.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 530' ' ' TYR . 1.0 OUTLIER -86.2 -8.11 58.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -111.76 -31.33 7.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.408 ' HD2' ' CG ' ' A' ' 531' ' ' ASP . 8.0 mtt-85 -82.75 -24.57 33.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -82.21 39.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -85.39 -39.68 17.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 538' ' ' SER . 9.3 m120 -115.08 158.6 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 537' ' ' ASN . 71.7 m -34.77 -51.67 0.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -52.9 121.89 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.499 HD12 ' C ' ' A' ' 540' ' ' LEU . 3.3 pp -126.09 -28.82 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 96.8 p -77.55 -41.96 37.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -83.86 33.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 53.7 m 48.44 42.35 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 80.01 -159.07 43.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 99.2 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 42.3 t -81.9 -55.57 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 81.3 p -129.13 121.5 27.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 93.0 p -126.3 154.36 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 8.5 t -152.18 151.76 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.04 104.3 2.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 5.2 t -69.03 134.0 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 99.1 p -155.2 116.2 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -100.83 175.35 26.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 109.68 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.356 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 10.7 mp -99.75 172.1 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 7.9 mp -103.91 37.6 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -117.74 128.75 55.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -107.73 127.87 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -83.84 142.18 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -40.96 135.63 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.0 p -104.28 124.91 50.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.8 t -127.17 11.51 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 77.5 t -115.75 102.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 32.5 ttp -93.12 136.03 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 448' ' ' VAL . 12.5 p -109.36 115.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.45 138.16 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 451' ' ' ASN . 0.6 OUTLIER -120.82 167.71 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 450' ' ' ARG . 11.2 t-20 34.28 39.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 ttt -83.66 -66.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.648 HG21 HD21 ' A' ' 462' ' ' LEU . 27.3 m -135.22 128.21 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ASP . . . . . 0.491 ' OD1' ' CZ ' ' A' ' 523' ' ' ARG . 1.4 m-20 -56.37 159.43 6.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.73 3.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.83 -20.82 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.31 11.63 23.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.0 mm -60.89 99.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -137.97 178.64 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.63 -40.02 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.89 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.648 HD21 HG21 ' A' ' 453' ' ' VAL . 16.4 tp -47.46 -57.28 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.3 tt0 -38.03 -53.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.11 98.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.45 -50.24 65.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -40.04 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.2 m -59.63 -59.34 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.26 -45.09 88.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.77 -41.05 61.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.404 ' HB2' HG21 ' A' ' 476' ' ' VAL . 99.1 m -68.64 -35.76 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -38.11 -41.71 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -63.16 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 14.7 m-85 -48.86 -39.93 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 166.41 -175.13 41.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -55.83 120.64 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.404 HG21 ' HB2' ' A' ' 470' ' ' CYS . 59.2 t -88.01 122.98 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.5 -52.31 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.6 ptm85 -165.93 171.22 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.8 122.97 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' ILE . . . . . 0.899 HG21 ' HG ' ' A' ' 540' ' ' LEU . 61.3 mt -115.84 129.98 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 64.2 mt -112.14 106.47 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.92 143.34 39.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -146.51 121.22 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -133.94 166.39 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -89.11 138.76 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -112.31 31.4 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -174.06 133.97 2.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 489' ' ' GLU . 11.4 tt0 -57.11 -40.21 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.712 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 21.5 mm-40 -34.84 140.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -56.2 -40.61 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -111.86 32.44 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.712 ' HB2' ' HB2' ' A' ' 489' ' ' GLU . . . -57.97 176.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -73.1 144.1 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 20.4 mm -122.14 103.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -77.83 152.6 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 54.8 t -130.86 106.93 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.444 ' HG3' HD13 ' A' ' 495' ' ' ILE . 71.8 mttt -99.91 117.99 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 64.0 mt -110.04 113.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -90.91 140.12 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.672 HG12 ' CE1' ' A' ' 502' ' ' PHE . 61.1 t -129.34 111.32 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.425 ' HB3' ' CG ' ' A' ' 478' ' ' ARG . 9.0 tp10 -95.18 125.57 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.672 ' CE1' HG12 ' A' ' 500' ' ' VAL . 83.9 m-85 -110.63 170.28 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 78.3 p -63.07 -47.42 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 506' ' ' SER . 16.0 pt -126.64 162.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.59 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' SER . . . . . 0.416 ' HB3' HD12 ' A' ' 504' ' ' ILE . 3.0 t -53.63 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -50.13 -45.84 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 12.1 m -58.95 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -42.03 -41.1 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.67 -56.96 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.62 -36.85 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.86 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -41.56 -30.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.98 -48.65 9.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.509 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 17.4 mt -89.44 24.64 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -86.5 -0.89 57.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -174.93 37.07 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -79.12 159.28 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -103.4 111.05 23.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.451 ' HB2' ' CG2' ' A' ' 525' ' ' VAL . 29.9 t80 -82.19 158.15 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.46 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 74.11 22.62 77.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 523' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 454' ' ' ASP . 96.7 mtt180 -155.93 169.36 24.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -106.61 150.08 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 18.5 t -113.69 145.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 526' ' ' VAL . . . . . 0.822 HG12 ' OE1' ' A' ' 528' ' ' GLU . 18.3 t -142.07 111.0 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 527' ' ' ALA . . . . . 0.443 ' C ' ' OE1' ' A' ' 528' ' ' GLU . . . -101.71 129.22 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.822 ' OE1' HG12 ' A' ' 526' ' ' VAL . 3.1 mp0 -119.55 170.01 9.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.67 147.55 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -131.07 129.92 42.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -82.82 141.83 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 535' ' ' PHE . 0.0 OUTLIER -72.86 -43.71 62.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 533' ' ' GLU . . . . . 0.427 ' N ' ' OE1' ' A' ' 532' ' ' GLN . 37.4 tt0 -38.17 -42.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -83.95 -28.79 27.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 532' ' ' GLN . 74.6 t80 -80.21 42.62 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -94.29 -47.91 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' ASN . . . . . 0.44 ' ND2' ' HD3' ' A' ' 545' ' ' PRO . 2.3 p30 -46.16 -40.81 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 54.1 m 43.01 42.87 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -127.42 77.15 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.899 ' HG ' HG21 ' A' ' 480' ' ' ILE . 4.4 mm? -87.39 46.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 34.5 t -121.7 -60.2 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.09 -60.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 34.6 p -161.89 173.19 14.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -133.33 -158.02 8.58 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.44 ' HD3' ' ND2' ' A' ' 537' ' ' ASN . 53.8 Cg_endo -69.75 131.31 20.99 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.728 2.286 . . . . 0.0 112.336 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 88.4 p -132.27 130.97 41.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 37.3 m -154.47 139.06 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 5.5 t -96.53 113.18 24.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 36.6 m -80.8 133.77 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 158.6 43.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 11.6 t -144.87 116.27 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 42.9 p -57.42 108.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -156.53 -83.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -71.62 136.57 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.65 165.49 13.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.95 104.37 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 441' ' ' LYS . 49.5 mmt-85 -125.15 131.28 53.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 440' ' ' ARG . 0.0 OUTLIER -37.37 144.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -138.6 141.99 39.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.59 103.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.3 t -93.65 133.53 36.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.822 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.0 t -111.97 14.31 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.611 HG21 ' CD2' ' A' ' 535' ' ' PHE . 91.4 t -106.36 104.34 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.522 ' CE ' HD21 ' A' ' 449' ' ' LEU . 44.2 ttp -93.06 159.91 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 528' ' ' GLU . 2.4 p -133.87 124.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.522 HD21 ' CE ' ' A' ' 447' ' ' MET . 35.8 mt -100.23 129.15 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -126.39 165.08 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 24.5 t30 47.52 46.87 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 24.2 ttt -102.32 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.99 144.87 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ASP . . . . . 0.462 ' CG ' ' HG2' ' A' ' 456' ' ' LYS . 40.9 p30 -59.67 153.17 53.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.92 15.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.462 ' HG2' ' CG ' ' A' ' 454' ' ' ASP . 1.0 OUTLIER -90.12 -16.28 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -96.17 8.95 42.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 13.6 mm -66.59 107.44 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.74 165.96 23.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -60.14 -29.78 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.3 -42.68 71.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 463' ' ' GLU . 46.1 tp -46.49 -63.14 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.7 tt0 -35.76 -48.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.88 93.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.34 -46.63 69.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.91 -41.18 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 62.9 m -59.45 -44.7 92.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -63.96 -60.88 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -49.56 -36.55 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 471' ' ' GLY . 99.2 m -72.72 -53.26 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -34.94 -37.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -48.17 -50.1 30.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.699 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 44.5 m-85 -57.52 -51.26 70.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.18 -160.08 18.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.1 109.96 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.52 118.71 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 503' ' ' SER . 3.4 m-20 -79.63 -46.98 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 478' ' ' ARG . 1.8 ptp180 -173.36 158.75 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 63.2 t -132.45 139.81 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' ILE . . . . . 0.437 HD13 HD21 ' A' ' 540' ' ' LEU . 68.0 mt -128.02 138.22 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 71.6 mt -112.67 100.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -116.64 133.58 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -137.95 131.66 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.9 152.8 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.535 ' HE2' HD11 ' A' ' 494' ' ' ILE . 12.3 ttmt -58.77 133.11 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -110.97 23.5 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -159.99 145.77 11.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.18 -28.26 65.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.634 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 24.3 mt-10 -45.66 131.13 9.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -51.42 -32.55 26.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -119.13 29.77 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 489' ' ' GLU . . . -51.85 179.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -89.1 145.22 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.535 HD11 ' HE2' ' A' ' 485' ' ' LYS . 32.6 mm -110.6 118.56 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.725 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -91.78 177.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -138.6 121.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -107.18 109.59 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 66.4 mt -97.35 111.74 27.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -89.06 113.92 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 98.6 t -106.91 105.82 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.822 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.0 tp10 -97.08 128.3 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -104.38 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.475 ' N ' ' OD1' ' A' ' 477' ' ' ASN . 2.0 m -87.18 -33.8 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.712 HD11 ' CG ' ' A' ' 507' ' ' GLU . 0.2 OUTLIER -122.69 169.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.72 -34.34 22.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.8 m -59.33 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.712 ' CG ' HD11 ' A' ' 504' ' ' ILE . 0.8 OUTLIER -45.29 -39.91 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 3.5 m -63.97 -53.09 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -49.28 -38.8 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -64.76 -59.59 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.699 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -46.59 -33.61 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 47.7 mt -79.73 -54.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -46.61 -25.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.18 -58.54 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.569 ' CB ' ' HB2' ' A' ' 527' ' ' ALA . 18.0 mt -57.14 -16.66 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -52.81 -17.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -159.88 45.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -82.82 158.63 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -108.09 107.08 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.698 ' HB2' HG23 ' A' ' 525' ' ' VAL . 31.2 t80 -78.73 157.82 28.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.13 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.76 22.82 65.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -156.96 170.91 21.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -112.77 143.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 520' ' ' PHE . 63.0 t -115.49 146.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 72.1 t -133.15 114.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' ALA . . . . . 0.569 ' HB2' ' CB ' ' A' ' 515' ' ' LEU . . . -96.95 145.74 25.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.656 ' O ' HG12 ' A' ' 448' ' ' VAL . 12.1 mm-40 -148.92 155.09 40.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 529' ' ' VAL . 9.1 p -94.22 123.19 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.477 ' CZ ' ' HD2' ' A' ' 534' ' ' ARG . 17.1 t80 -84.59 135.6 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.81 122.44 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -44.9 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -41.25 -51.81 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.477 ' HD2' ' CZ ' ' A' ' 530' ' ' TYR . 10.0 ptp180 -71.37 -29.41 64.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.611 ' CD2' HG21 ' A' ' 446' ' ' VAL . 22.0 t80 -77.83 46.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -97.27 -43.19 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -85.71 126.14 33.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 51.6 m -81.54 41.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.75 92.68 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.437 HD21 HD13 ' A' ' 480' ' ' ILE . 3.9 mm? -58.2 -46.85 85.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 69.0 m -58.15 174.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -84.93 44.31 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.3 m -123.27 87.69 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 178.28 177.61 47.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.04 4.8 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 77.7 p -47.45 166.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.6 t -74.05 143.54 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 14.4 t -57.96 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 34.3 p -43.81 -57.31 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 169.0 165.68 26.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 9.4 t -133.17 169.62 16.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 76.8 p -169.3 136.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -153.36 -68.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -111.61 127.09 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 438' ' ' LEU . 10.0 tt -62.94 109.28 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.53 94.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -107.08 122.37 46.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -100.99 163.19 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -117.77 138.56 51.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 443' ' ' GLU . 2.1 mp0 -51.47 151.82 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 154.96 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 t -131.67 7.2 4.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 535' ' ' PHE . 18.2 t -109.14 111.21 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.492 ' CE ' HD21 ' A' ' 449' ' ' LEU . 35.3 ttp -99.94 129.31 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 497' ' ' LYS . 2.6 p -109.71 116.95 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.492 HD21 ' CE ' ' A' ' 447' ' ' MET . 20.6 mt -94.73 138.41 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -130.44 139.38 50.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 69.58 49.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.411 ' CE ' HG22 ' A' ' 466' ' ' VAL . 12.7 ttt -98.17 -62.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.84 134.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.29 158.45 19.46 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.75 10.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.649 2.233 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -86.91 -17.27 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.84 9.25 43.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 49.8 mm -61.29 106.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -137.37 172.14 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.23 -48.91 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.52 -31.54 64.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 463' ' ' GLU . 26.0 tp -51.15 -67.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 16.9 tt0 -34.83 -43.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -68.22 -46.31 65.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 462' ' ' LEU . 11.7 mm-40 -52.22 -49.46 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.411 HG22 ' CE ' ' A' ' 452' ' ' MET . 89.9 t -63.82 -43.54 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 38.6 m -60.1 -47.59 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.02 -50.83 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.14 -38.11 56.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 68.1 m -69.39 -29.47 67.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.71 -28.8 60.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -55.27 -39.46 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 25.7 m-85 -71.95 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -159.82 -150.44 5.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -84.96 110.32 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 59.1 t -67.3 116.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 7.6 t-20 -75.86 -56.19 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 3.7 ptm85 -165.48 163.64 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 88.9 t -133.72 133.72 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 73.7 mt -118.98 125.93 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 91.1 mt -104.93 105.23 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.406 ' CD2' HD12 ' A' ' 540' ' ' LEU . 18.7 t80 -109.12 124.08 50.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -137.49 121.23 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -160.01 150.68 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.801 ' HE3' HD11 ' A' ' 494' ' ' ILE . 24.7 ttmt -67.87 150.11 48.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -103.41 24.39 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 487' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 489' ' ' GLU . . . 171.45 111.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 487' ' ' GLY . 11.9 pt-20 -34.85 -34.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 487' ' ' GLY . 60.4 mm-40 -48.52 133.54 16.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -66.96 -3.93 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.91 -11.57 24.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -74.63 128.97 36.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.43 152.84 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.801 HD11 ' HE3' ' A' ' 485' ' ' LYS . 22.6 mm -92.11 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -70.96 166.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 55.1 t -144.66 121.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.466 ' HG3' HG23 ' A' ' 448' ' ' VAL . 3.6 tppt? -110.92 123.05 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.21 110.55 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.422 ' CE1' HD13 ' A' ' 540' ' ' LEU . 32.6 m-85 -92.89 142.94 26.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 500' ' ' VAL . . . . . 0.598 HG12 ' CE1' ' A' ' 502' ' ' PHE . 74.9 t -138.74 107.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 27.2 tt0 -99.08 135.15 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.598 ' CE1' HG12 ' A' ' 500' ' ' VAL . 27.8 m-85 -107.0 172.54 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 72.8 p -64.57 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.9 pt -128.71 154.51 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.36 77.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -42.45 -64.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -42.24 -48.83 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 7.3 m -57.24 -55.95 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -43.07 -44.52 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.7 -58.25 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.409 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.7 -45.23 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 516' ' ' ASN . 52.0 mt -60.15 -58.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -50.43 -24.7 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.88 -50.44 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 518' ' ' ARG . 21.5 mt -97.2 22.07 9.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.8 t30 -84.74 -0.83 55.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.46 29.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.474 ' HG3' HD23 ' A' ' 515' ' ' LEU . 4.4 mmt-85 -71.22 161.34 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -119.31 102.05 8.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 15.6 t80 -82.1 158.46 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.531 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -44.87 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 59.2 35.03 82.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 523' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 44.4 mtp180 -163.3 119.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -77.09 120.56 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 55.9 t -79.65 150.55 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.67 111.47 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.19 117.06 33.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.541 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 9.6 tt0 -109.47 165.7 11.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.541 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 9.8 p -102.34 125.56 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 534' ' ' ARG . 1.3 t80 -94.41 99.23 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -36.92 143.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -56.83 -17.7 10.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -78.7 -44.1 24.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.595 ' HB2' ' CE2' ' A' ' 530' ' ' TYR . 0.6 OUTLIER -59.94 -33.58 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.528 ' CG ' HG21 ' A' ' 446' ' ' VAL . 4.6 t80 -82.4 30.19 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -72.02 -45.28 61.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -119.41 172.04 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 8.0 t -88.82 -18.23 28.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -80.98 114.57 19.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.422 HD13 ' CE1' ' A' ' 499' ' ' PHE . 9.4 mt -91.44 -44.51 9.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.09 -70.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -106.62 138.56 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.9 p -68.7 110.35 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 50.78 -158.03 2.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 19.4 m -65.35 105.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 4.8 t -112.48 105.98 14.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 13.3 m 55.24 54.33 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 22.8 t -88.57 -47.85 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -141.05 93.31 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 435' ' ' SER . 2.9 m -143.63 117.11 9.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 434' ' ' SER . 91.8 p -35.54 143.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 137.94 130.44 2.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -119.8 140.83 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.62 32.57 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.51 129.19 38.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -116.35 166.95 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -73.83 140.29 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -109.15 103.95 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -125.79 -179.04 4.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 5.1 m -54.46 102.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.1 t -104.99 19.73 20.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 62.1 t -118.52 97.83 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 447' ' ' MET . 8.7 tmm? -93.69 136.95 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.548 HG13 ' HB3' ' A' ' 528' ' ' GLU . 7.1 p -116.55 132.17 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 93.9 mt -99.35 133.69 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -127.61 140.99 51.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 68.04 42.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 16.7 ttt -94.69 -60.93 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.406 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 11.1 m -141.77 127.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.68 158.63 0.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.53 4.35 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -86.75 -30.73 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.14 19.0 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 33.8 mm -73.38 107.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.12 -38.54 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.04 -42.62 98.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 36.0 tp -43.91 -54.98 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -41.74 -52.48 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.53 -47.4 91.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -48.5 -57.53 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.68 -42.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.8 m -57.97 -53.65 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.1 -48.26 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -58.16 -61.55 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 470' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' GLY . 92.0 m -40.68 -43.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -38.27 -38.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.88 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 18.6 m-85 -46.75 -46.0 20.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 179.36 -158.98 23.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -75.72 116.46 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.57 118.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -78.73 -55.84 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 478' ' ' ARG . 3.9 ptp180 -162.46 167.81 22.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 61.7 t -141.34 138.61 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 75.5 mt -137.78 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.3 mt -119.31 104.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -109.09 132.78 53.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -142.28 128.73 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -147.35 163.14 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.717 ' HE3' ' HB3' ' A' ' 492' ' ' ALA . 13.3 tttp -72.51 135.32 45.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -113.53 25.65 11.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -157.5 144.22 10.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -66.16 -37.34 85.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 48.1 mm-40 -42.67 131.58 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -56.48 -17.34 7.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -128.47 29.51 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' ALA . . . . . 0.717 ' HB3' ' HE3' ' A' ' 485' ' ' LYS . . . -59.11 171.74 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.12 153.64 38.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 51.0 mm -118.93 126.51 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.719 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.0 pp -101.36 156.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 74.4 t -131.49 109.77 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -92.93 123.63 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.22 112.73 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -95.07 131.47 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 96.7 t -134.01 112.35 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.99 141.09 37.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.479 ' HD1' ' HG1' ' A' ' 508' ' ' THR . 96.4 m-85 -116.67 171.09 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.2 m -58.29 -47.25 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.404 ' CG1' ' HG2' ' A' ' 507' ' ' GLU . 25.0 pt -123.56 162.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.56 -41.12 80.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 5.8 t -44.14 -63.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.404 ' HG2' ' CG1' ' A' ' 504' ' ' ILE . 2.8 mm-40 -47.34 -46.8 25.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.479 ' HG1' ' HD1' ' A' ' 502' ' ' PHE . 91.3 m -57.05 -60.98 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -41.52 -42.72 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.21 -46.57 88.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.557 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -56.3 -40.88 75.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 516' ' ' ASN . 89.6 mt -66.48 -58.46 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -45.91 -35.86 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -77.92 -52.19 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.513 HD23 ' HG3' ' A' ' 518' ' ' ARG . 15.2 mt -89.2 25.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 516' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.2 t-20 -86.5 -10.2 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -162.91 32.1 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.513 ' HG3' HD23 ' A' ' 515' ' ' LEU . 7.0 mmp_? -72.55 158.53 35.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -107.9 110.04 21.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.742 ' HB2' HG23 ' A' ' 525' ' ' VAL . 30.4 t80 -81.44 158.14 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.29 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 79.0 22.49 65.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -153.09 166.34 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -109.29 132.54 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.742 HG23 ' HB2' ' A' ' 520' ' ' PHE . 54.8 t -103.19 136.66 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.21 120.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -100.2 120.92 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' GLU . . . . . 0.548 ' HB3' HG13 ' A' ' 448' ' ' VAL . 32.5 tt0 -108.47 167.77 9.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 529' ' ' VAL . 11.2 p -108.88 114.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -87.51 134.0 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -66.45 129.39 39.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 533' ' ' GLU . 10.3 pt20 -64.64 -44.46 90.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 532' ' ' GLN . 20.7 tt0 -39.94 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -45.53 -34.53 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -76.04 48.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -96.74 -40.3 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -114.63 178.82 4.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 47.8 m -79.01 46.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.94 -32.63 3.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.94 -42.54 90.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 30.8 t -66.43 169.65 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -59.33 -54.47 46.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 38.2 m -49.73 -64.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 60.47 -156.85 30.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 145.33 56.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 53.6 p -68.34 165.29 18.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 91.6 p -117.88 134.6 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 16.6 m -115.8 87.75 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 18.7 m -43.96 105.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 171.22 61.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 5.0 t -38.12 -63.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 52.1 m -82.21 144.61 30.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 141.68 130.62 2.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.68 137.9 48.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 20.5 tp -54.73 100.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 18.0 mt -94.44 -56.62 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -62.92 162.79 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -116.98 108.31 15.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -115.07 104.87 12.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 505' ' ' ALA . 15.6 mt-10 -43.69 122.52 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 8.0 t -103.48 107.73 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.41 HG23 ' HG3' ' A' ' 501' ' ' GLU . 12.5 t -84.04 20.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 45.8 t -108.72 100.67 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.612 ' HB2' HG22 ' A' ' 508' ' ' THR . 8.6 tmm? -96.39 133.61 40.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.5 p -120.08 137.85 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 16.9 mt -107.67 145.35 33.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -133.54 148.86 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.9 t30 56.43 35.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.525 ' HA ' HG22 ' A' ' 525' ' ' VAL . 8.1 ttt -93.46 -49.3 5.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.421 HG13 ' HG2' ' A' ' 452' ' ' MET . 3.4 m -142.2 133.8 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.26 158.75 26.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.54 0.686 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -92.03 -38.55 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' ILE . . . . . 0.404 HD11 HG11 ' A' ' 496' ' ' VAL . 35.3 mm -37.0 113.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.81 156.71 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.47 -27.68 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.36 -40.81 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 463' ' ' GLU . 18.2 tp -58.66 -57.54 12.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.5 tt0 -36.68 -57.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.63 94.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.62 -47.3 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.89 -44.44 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.5 m -56.96 -32.61 66.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -80.61 -36.93 32.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.69 -23.76 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 85.3 m -84.43 -2.54 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -77.81 -25.17 63.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 472' ' ' LYS . 3.0 mmtp -59.6 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.676 ' CZ ' HD11 ' A' ' 515' ' ' LEU . 45.6 m-85 -47.92 -45.85 31.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.29 -129.26 1.48 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -101.11 112.18 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.73 138.43 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -102.39 -62.0 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -146.33 157.44 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.09 113.85 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 17.7 mt -130.05 125.18 59.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 78.3 mt -104.69 98.45 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -98.13 132.0 44.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.87 129.31 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -144.43 159.18 43.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' LYS . . . . . 0.445 ' HD3' ' CD1' ' A' ' 494' ' ' ILE . 11.5 ttpt -85.6 145.17 27.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -99.13 23.32 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 177.3 124.63 0.85 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.29 -37.29 10.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -53.04 132.07 37.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.89 -33.4 70.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -65.45 -26.73 68.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -49.42 136.25 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -72.14 145.37 48.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' ILE . . . . . 0.445 ' CD1' ' HD3' ' A' ' 485' ' ' LYS . 13.6 mm -97.42 115.62 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.666 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -91.85 168.02 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 496' ' ' VAL . . . . . 0.404 HG11 HD11 ' A' ' 458' ' ' ILE . 93.6 t -139.49 117.53 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -101.06 118.81 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.28 119.14 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.95 124.06 43.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.66 104.62 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' HG23 ' A' ' 445' ' ' THR . 21.7 tt0 -100.7 134.46 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 502' ' ' PHE . . . . . 0.476 ' HD1' HG23 ' A' ' 508' ' ' THR . 79.5 m-85 -104.88 170.89 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 44.5 t -58.21 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 506' ' ' SER . 28.6 pt -119.71 155.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 505' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 443' ' ' GLU . . . -59.68 -38.82 82.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 506' ' ' SER . . . . . 0.5 ' HB3' HD12 ' A' ' 504' ' ' ILE . 43.0 t -48.67 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -44.52 -44.9 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.612 HG22 ' HB2' ' A' ' 447' ' ' MET . 1.3 m -56.98 -61.66 2.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -42.34 -44.53 3.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -57.36 -55.03 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -49.58 -38.19 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.2 mt -68.83 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -44.43 -24.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.79 -45.15 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.676 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 1.0 OUTLIER -98.54 31.45 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -89.83 -3.54 58.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.29 29.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -66.26 158.39 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -117.5 100.4 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.501 ' HB2' HG23 ' A' ' 525' ' ' VAL . 18.6 t80 -76.9 159.43 30.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -47.62 89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 69.74 28.96 71.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 523' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 520' ' ' PHE . 79.4 mtt180 -156.22 123.78 5.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -80.24 118.9 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.525 HG22 ' HA ' ' A' ' 452' ' ' MET . 94.8 t -84.94 157.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 526' ' ' VAL . . . . . 0.495 ' N ' HG12 ' A' ' 525' ' ' VAL . 19.9 t -149.01 116.12 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -98.46 139.96 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -143.14 159.45 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 529' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 529' ' ' VAL . 7.0 p -94.63 117.16 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -73.15 178.84 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -100.91 96.43 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.406 ' HA ' ' CB ' ' A' ' 535' ' ' PHE . 26.8 tt0 -63.03 -33.34 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -46.23 -36.04 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -101.83 -20.7 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' PHE . . . . . 0.406 ' CB ' ' HA ' ' A' ' 532' ' ' GLN . 32.8 t80 -57.57 -16.84 11.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.14 -56.61 13.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -77.44 123.02 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 35.2 t -83.1 42.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -99.13 78.54 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.52 -62.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 58.4 p -50.63 -42.29 56.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -128.31 110.55 12.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 46.3 t -43.1 132.03 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 51.41 -157.68 2.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 122.82 9.49 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.306 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 m -44.84 -65.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 23.3 t -73.55 105.33 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.918 0.389 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.622 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.3 t -109.23 28.04 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.597 HG22 ' OE1' ' A' ' 501' ' ' GLU . 61.9 t -122.01 107.04 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.53 ' CE ' HD21 ' A' ' 449' ' ' LEU . 46.6 ttp -92.96 143.06 26.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 448' ' ' VAL . 9.3 p -118.97 111.8 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.53 HD21 ' CE ' ' A' ' 447' ' ' MET . 19.9 mt -88.38 140.84 29.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 450' ' ' ARG . 7.3 mtp-105 -134.59 155.07 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 26.2 t30 62.16 26.26 15.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 498' ' ' ILE . 11.1 ttt -73.32 -68.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.15 139.94 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.71 160.14 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . 0.434 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.8 Cg_endo -69.78 2.01 3.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -90.31 -39.87 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.11 -22.59 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.513 HD13 ' CD2' ' A' ' 462' ' ' LEU . 46.1 mm -47.57 108.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -138.34 165.93 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -56.27 -16.35 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -84.6 -42.88 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.513 ' CD2' HD13 ' A' ' 458' ' ' ILE . 20.3 tp -43.56 -62.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 462' ' ' LEU . 18.7 tt0 -36.57 -57.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.05 -45.34 93.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.06 -33.5 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 21.2 m -66.42 -48.91 68.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -68.46 -30.11 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.45 -36.45 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 57.7 m -76.51 -30.18 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.91 -27.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.48 -55.38 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' A' ' 515' ' ' LEU . 27.0 m-85 -52.31 -59.11 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -164.63 -159.2 10.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.28 109.95 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.34 117.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.12 -53.38 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -167.29 160.53 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 84.4 t -130.23 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 20.4 mt -131.74 125.52 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 65.7 mt -105.8 113.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -120.8 125.87 48.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -136.99 149.52 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -167.51 174.84 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.582 ' O ' HD13 ' A' ' 494' ' ' ILE . 20.9 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.859 0.361 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 493' ' ' GLU . 11.5 mm -124.78 119.31 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.699 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.9 pp -92.47 168.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 75.3 t -136.94 120.56 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -107.1 109.66 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . 0.505 HD13 ' SD ' ' A' ' 452' ' ' MET . 59.5 mt -102.11 110.96 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.77 128.09 42.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.429 HG12 ' CE1' ' A' ' 502' ' ' PHE . 41.0 t -122.6 104.63 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.622 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.1 tp10 -89.98 129.35 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 500' ' ' VAL . 46.1 m-85 -104.72 -176.93 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 35.1 t -82.2 -34.41 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 162.23 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.75 70.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.6 t -46.69 -58.11 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -50.91 -51.11 55.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 98.3 m -53.4 -45.97 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.53 -41.19 76.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -61.18 -57.83 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.403 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -51.43 -35.47 39.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 516' ' ' ASN . 97.2 mt -73.51 -52.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.74 -24.73 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -94.73 -63.53 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 9.8 mt -60.6 -9.83 4.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 1.0 OUTLIER -59.57 -10.7 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.13 36.15 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.404 ' HG3' HD23 ' A' ' 515' ' ' LEU . 1.7 mmp_? -76.6 162.01 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -106.45 117.13 33.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.813 ' HB2' HG23 ' A' ' 525' ' ' VAL . 34.8 t80 -87.37 157.85 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.4 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.89 84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.31 21.09 65.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -154.61 171.18 19.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -108.45 140.29 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 520' ' ' PHE . 43.1 t -108.58 145.24 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.79 111.37 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.5 116.06 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -111.77 165.07 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 1.9 p -94.46 128.41 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 24.4 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.954 0.406 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 t -116.27 7.42 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 17.4 t -100.06 132.24 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 45.0 ttp -121.72 158.68 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.635 HG13 ' HB2' ' A' ' 528' ' ' GLU . 2.3 p -131.94 123.0 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.529 HD21 HD13 ' A' ' 515' ' ' LEU . 51.6 mt -101.8 134.81 44.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -133.74 153.78 51.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 21.8 t30 60.31 47.47 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.418 ' HG2' HG13 ' A' ' 453' ' ' VAL . 8.0 ttt -113.17 -58.16 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 462' ' ' LEU . 13.4 m -138.54 119.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.79 160.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -0.85 7.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -90.75 -12.92 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -102.84 8.25 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.19 101.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.62 168.19 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.32 -42.41 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.79 96.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 453' ' ' VAL . 37.6 tp -43.03 -54.99 4.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.01 -58.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -52.86 -45.21 61.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.84 -58.92 5.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 62.3 t -53.21 -37.17 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.3 m -60.79 -49.5 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.02 -14.02 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -79.86 -38.45 32.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 71.9 m -75.99 -31.63 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -40.27 -33.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -51.89 -46.15 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 36.1 m-85 -59.93 -59.27 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.66 -152.94 7.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.46 110.0 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 70.1 t -68.2 147.73 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . 0.422 ' HB2' ' CA ' ' A' ' 502' ' ' PHE . 1.9 t-20 -108.23 -60.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -165.55 158.51 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.6 t -130.35 132.72 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 90.4 mt -124.64 126.9 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . 0.754 HG22 HE22 ' A' ' 483' ' ' GLN . 62.3 mt -100.98 104.97 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -109.99 123.49 49.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . 0.754 HE22 HG22 ' A' ' 481' ' ' ILE . 0.0 OUTLIER -131.35 127.24 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -163.52 145.11 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . 0.457 ' CA ' HD13 ' A' ' 494' ' ' ILE . 1.2 ttmp? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.457 HD13 ' CA ' ' A' ' 485' ' ' LYS . 17.5 mm -67.42 128.62 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.715 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.7 pp -95.95 166.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . 0.401 ' N ' HD12 ' A' ' 495' ' ' ILE . 96.3 t -128.43 100.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 448' ' ' VAL . 1.2 tppp? -97.42 110.6 23.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -98.99 131.38 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.17 126.51 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.37 112.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 51.1 tt0 -105.19 143.12 33.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 502' ' ' PHE . 4.0 m-85 -116.52 173.18 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.3 t -64.32 -48.99 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.517 HD11 ' HG2' ' A' ' 507' ' ' GLU . 13.8 pt -113.82 172.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -81.81 -30.68 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 3.1 t -54.24 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.517 ' HG2' HD11 ' A' ' 504' ' ' ILE . 22.1 mm-40 -45.06 -48.56 11.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 43.8 m -54.29 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.83 -42.04 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.44 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.678 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -40.99 -36.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.41 -58.04 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -44.86 -24.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -96.15 -56.34 2.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 511' ' ' ALA . 9.4 mt -63.64 -9.23 12.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -60.2 -11.52 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 27.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.464 ' HG3' HD23 ' A' ' 515' ' ' LEU . 13.7 mmt180 -64.38 160.17 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -108.41 119.25 38.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.654 ' HB2' HG23 ' A' ' 525' ' ' VAL . 30.0 t80 -89.63 158.03 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.497 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.85 85.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.73 15.14 78.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -147.62 171.2 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -107.57 146.18 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' A' ' 520' ' ' PHE . 79.5 t -113.66 147.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.83 122.5 38.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -108.8 148.24 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.635 ' HB2' HG13 ' A' ' 448' ' ' VAL . 17.0 mt-10 -150.29 157.51 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 529' ' ' VAL . 3.9 p -94.31 119.45 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 15.9 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.98 0.419 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.3 t -114.01 11.41 17.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.47 HG22 ' HG3' ' A' ' 501' ' ' GLU . 16.0 t -105.31 106.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.459 ' CE ' HD21 ' A' ' 449' ' ' LEU . 44.6 ttp -100.07 155.28 17.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 528' ' ' GLU . 7.1 p -131.43 130.95 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.459 HD21 ' CE ' ' A' ' 447' ' ' MET . 12.6 mt -103.57 140.77 37.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -139.69 140.78 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 28.6 t30 70.39 44.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 13.6 ttm -99.34 -53.17 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.474 HG21 HD21 ' A' ' 462' ' ' LEU . 3.5 m -149.32 142.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 160.75 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.703 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.281 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 457' ' ' ASP . 20.2 pttp -91.41 -36.59 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 456' ' ' LYS . 15.4 t0 -70.6 -28.62 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 457' ' ' ASP . 43.8 mm -36.52 123.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -150.9 152.6 33.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.97 -24.72 6.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 -33.63 44.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.474 HD21 HG21 ' A' ' 453' ' ' VAL . 32.8 tp -50.61 -58.39 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -39.16 -50.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.34 79.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -52.23 -50.74 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.53 -42.9 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 51.4 m -59.57 -45.21 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -72.4 -28.86 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.43 -35.44 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 471' ' ' GLY . 78.0 m -75.11 -36.97 61.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -37.67 -36.52 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -51.87 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.599 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 26.7 m-85 -57.83 -44.82 86.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.44 163.41 28.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -47.62 110.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.15 135.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -103.06 -55.84 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -145.99 151.54 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -142.86 116.1 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.36 132.58 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 79.7 mt -110.85 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -108.04 146.0 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.97 140.41 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -159.75 170.33 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.01 113.6 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.2 pp -85.2 171.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 90.0 t -134.97 109.78 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -99.13 115.02 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 49.7 mt -106.73 128.61 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -105.06 125.1 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 81.7 t -130.8 101.74 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.47 ' HG3' HG22 ' A' ' 446' ' ' VAL . 24.0 tt0 -102.72 141.88 34.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -113.02 179.76 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 22.4 t -68.58 -47.91 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.0 166.29 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.64 -34.37 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -48.92 -62.34 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.95 -50.51 26.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -42.59 -44.06 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.72 -61.64 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.599 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -42.76 -37.89 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 516' ' ' ASN . 25.9 mt -73.55 -50.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -49.27 -29.46 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.1 -54.75 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.69 -8.85 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 512' ' ' ILE . 0.7 OUTLIER -64.21 -7.12 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.94 33.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -69.82 154.5 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -107.29 114.19 28.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 522' ' ' GLY . 24.1 t80 -84.08 157.77 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.482 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -53.24 83.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.95 18.7 60.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -152.77 171.12 18.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -117.11 143.43 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 526' ' ' VAL . 90.4 t -112.09 156.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . 0.473 ' N ' HG12 ' A' ' 525' ' ' VAL . 67.6 t -141.27 108.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.34 148.84 28.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.578 ' HG3' HG12 ' A' ' 448' ' ' VAL . 7.9 pt-20 -153.61 170.97 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 529' ' ' VAL . 10.6 p -94.78 111.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 42.8 t80 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.9 t -95.25 21.57 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.25 112.23 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 56.1 ttp -100.94 155.87 17.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 448' ' ' VAL . 13.3 p -133.46 118.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 62.2 mt -93.21 127.39 38.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -121.31 151.51 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 55.76 45.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.4 ttt -93.94 -59.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.599 HG21 HD21 ' A' ' 462' ' ' LEU . 4.7 m -144.1 149.07 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.3 161.45 69.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . 0.423 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.6 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -90.95 -38.1 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 458' ' ' ILE . 7.9 t0 -72.52 -32.82 66.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 457' ' ' ASP . 46.4 mm -34.03 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -136.77 161.6 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.0 -41.79 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.599 HD21 HG21 ' A' ' 453' ' ' VAL . 32.5 tp -54.06 -58.62 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.2 tt0 -34.94 -53.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.76 98.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -50.39 -45.27 55.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.22 -35.85 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.7 m -61.39 -50.73 71.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.98 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -54.55 -37.18 65.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.506 ' SG ' HG11 ' A' ' 500' ' ' VAL . 34.9 m -73.22 -33.42 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -46.38 -41.83 12.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -43.91 -50.24 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 30.1 m-85 -58.75 -58.0 10.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.78 -174.35 36.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -62.87 109.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.364 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.93 136.4 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 5.0 t-20 -95.57 -54.84 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -165.47 157.82 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 97.2 t -133.16 137.84 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.86 138.78 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 52.4 mt -116.4 103.47 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -108.84 141.4 40.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -146.9 149.08 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -165.44 156.05 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.4 mm -109.53 130.34 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -103.32 162.72 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 97.6 t -140.14 134.54 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -126.5 109.71 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 81.3 mt -95.98 113.58 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -90.83 111.04 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.506 HG11 ' SG ' ' A' ' 470' ' ' CYS . 93.4 t -113.92 103.77 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 33.5 tt0 -98.88 137.35 37.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.425 ' CE1' HG12 ' A' ' 500' ' ' VAL . 96.3 m-85 -112.54 171.54 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.6 t -57.21 -51.66 68.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 506' ' ' SER . 16.2 pt -121.89 165.15 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.75 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . 0.547 ' HB2' HD12 ' A' ' 504' ' ' ILE . 2.8 m -48.91 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -50.11 -42.0 49.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 10.8 m -59.71 -56.69 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -47.91 -41.99 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -58.62 -58.5 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.41 -46.04 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 516' ' ' ASN . 95.6 mt -59.96 -57.08 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -48.88 -30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -56.52 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 518' ' ' ARG . 23.8 mt -87.66 24.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 2.5 t30 -85.46 -1.0 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -171.17 34.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' A' ' 515' ' ' LEU . 6.9 mmp_? -80.63 154.07 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -100.64 111.81 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.617 ' HB2' HG23 ' A' ' 525' ' ' VAL . 21.1 t80 -85.25 157.89 20.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.95 98.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 64.91 29.85 76.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -162.97 166.09 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -111.36 143.17 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 520' ' ' PHE . 65.0 t -108.41 143.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 81.8 t -139.68 111.74 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.18 141.15 29.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -141.51 164.29 30.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 529' ' ' VAL . 14.5 p -106.57 111.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -93.72 13.55 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.715 HG22 ' HG3' ' A' ' 501' ' ' GLU . 63.3 t -110.96 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 35.8 ttp -98.07 152.32 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.874 HG21 ' HE3' ' A' ' 497' ' ' LYS . 9.5 p -128.24 128.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 515' ' ' LEU . 57.1 mt -105.97 132.35 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 450' ' ' ARG . 11.8 mtp-105 -127.75 140.12 52.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.6 t30 73.99 36.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.1 ttt -91.15 -56.7 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 462' ' ' LEU . 23.1 m -147.5 121.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.62 161.04 0.42 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . 0.459 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.5 Cg_endo -69.73 1.84 4.06 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -89.34 -29.6 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -92.4 16.47 11.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 21.0 mm -72.19 100.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.36 168.56 14.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.83 -39.97 91.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.07 -43.25 99.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 453' ' ' VAL . 26.9 tp -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 462' ' ' LEU . 14.1 tm-20 -34.88 -58.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -54.83 -45.81 78.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.45 -45.67 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.23 -44.36 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.8 m -57.31 -52.85 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 471' ' ' GLY . 13.1 mm-40 -58.07 -65.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -40.1 -46.8 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 86.1 m -58.93 -37.82 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 468' ' ' GLU . . . -40.01 -46.02 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -38.94 -55.0 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.854 0.359 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 511' ' ' ALA . 55.9 m-85 -51.84 -55.83 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -173.1 -136.37 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -98.91 110.78 23.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.93 129.73 36.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -85.44 -49.99 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.4 ptm85 -168.39 168.04 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.827 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 500' ' ' VAL . 69.8 t -142.22 145.44 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 73.8 mt -140.95 135.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 56.7 mt -110.64 107.87 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.74 139.33 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -144.61 161.12 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 485' ' ' LYS . 11.1 tt0 -168.23 152.72 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 494' ' ' ILE . 10.7 tttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 24.4 mm -121.82 108.95 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.6 pp -82.11 170.97 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . 0.431 ' N ' HD12 ' A' ' 495' ' ' ILE . 70.9 t -144.04 123.93 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . 0.874 ' HE3' HG21 ' A' ' 448' ' ' VAL . 15.9 tptt -110.14 109.69 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.02 117.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.96 124.68 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 479' ' ' VAL . 43.6 t -130.27 100.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.715 ' HG3' HG22 ' A' ' 446' ' ' VAL . 12.2 tt0 -98.64 136.69 38.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -105.6 -177.9 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.4 m -74.7 -39.11 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.6 pt -126.12 168.52 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.37 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 12.1 t -43.62 -66.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -42.36 -44.38 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -61.67 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -40.51 -39.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -64.32 -58.65 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 473' ' ' PHE . . . -47.3 -35.32 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 75.1 mt -75.82 -45.3 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -51.14 -35.96 38.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.93 -59.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.592 HD13 HD21 ' A' ' 449' ' ' LEU . 44.9 mt -54.97 -21.16 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.407 ' ND2' ' C ' ' A' ' 516' ' ' ASN . 0.5 OUTLIER -47.61 -19.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -158.59 33.38 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.95 159.65 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -110.24 113.16 25.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.567 ' HB2' HG23 ' A' ' 525' ' ' VAL . 23.9 t80 -84.45 158.13 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.6 85.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.32 17.0 70.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.43 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -150.51 171.15 17.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -114.99 140.01 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 520' ' ' PHE . 75.9 t -108.88 149.43 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.24 108.95 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' ' 515' ' ' LEU . . . -96.02 133.62 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -140.15 174.76 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.39 112.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 23.0 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.973 0.416 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.0 t -116.16 8.63 14.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 30.3 t -105.0 127.05 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 449' ' ' LEU . 39.0 ttp -121.33 161.55 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.479 ' N ' ' HG2' ' A' ' 447' ' ' MET . 1.5 p -132.75 124.29 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.495 HD21 ' SD ' ' A' ' 447' ' ' MET . 22.7 mt -105.36 126.12 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -124.48 151.2 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.5 t30 66.56 31.19 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 3.5 ttt -83.04 -59.32 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.433 HG21 HD21 ' A' ' 462' ' ' LEU . 23.4 m -147.19 147.96 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.38 160.11 44.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -1.33 8.23 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -93.47 -6.51 46.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.63 4.07 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.01 112.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -148.11 149.45 32.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -30.53 2.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.5 -43.69 63.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.433 HD21 HG21 ' A' ' 453' ' ' VAL . 34.2 tp -48.52 -51.2 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -41.58 -55.52 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.31 -42.32 99.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -51.11 -51.83 49.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.98 -44.26 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . 0.711 HG23 HG11 ' A' ' 476' ' ' VAL . 28.4 m -57.15 -41.75 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -64.49 -50.57 66.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.38 -48.2 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 97.2 m -59.34 -33.72 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.08 -33.59 3.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -48.5 66.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.502 ' CE1' ' HA ' ' A' ' 511' ' ' ALA . 38.4 m-85 -60.26 -54.01 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . 0.403 ' HA3' ' CD ' ' A' ' 507' ' ' GLU . . . -170.4 -141.92 3.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -93.18 116.43 29.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.711 HG11 HG23 ' A' ' 467' ' ' THR . 98.4 t -72.88 120.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.69 -56.94 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -163.41 158.13 20.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.49 144.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.0 141.37 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.0 105.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.53 129.58 56.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -138.2 152.62 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -172.26 160.26 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 47.2 mm -113.78 111.59 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.727 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.8 pp -80.23 163.45 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 72.7 t -140.4 115.36 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -103.85 114.47 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.08 109.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -88.46 124.49 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.4 108.86 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -106.56 137.3 44.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -107.34 171.37 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 42.7 t -59.8 -48.73 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 507' ' ' GLU . 7.3 pt -115.82 173.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -78.54 -44.66 23.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 8.4 t -45.72 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 504' ' ' ILE . 10.7 mm-40 -44.24 -53.35 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 4.0 m -53.37 -58.86 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -42.68 -40.44 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.37 -54.21 32.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.502 ' HA ' ' CE1' ' A' ' 473' ' ' PHE . . . -49.69 -40.46 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.5 mt -68.09 -52.59 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -47.18 -36.76 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.61 -55.38 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.668 HD23 ' HG3' ' A' ' 518' ' ' ARG . 68.8 mt -69.36 -1.28 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 512' ' ' ILE . 1.4 t-20 -68.81 -10.28 55.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 17.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.668 ' HG3' HD23 ' A' ' 515' ' ' LEU . 10.8 mmm180 -56.96 158.47 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -113.91 109.48 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 34.1 t80 -79.24 158.2 27.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.431 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.95 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 75.4 13.65 82.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -147.71 170.61 17.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -112.11 148.07 34.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 151.27 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 20.6 t -141.32 118.47 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.93 129.13 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -135.61 170.44 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.94 107.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.5 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 t -97.54 26.99 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.82 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.634 ' HB2' HG23 ' A' ' 508' ' ' THR . 53.3 ttp -96.48 153.24 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 528' ' ' GLU . 9.9 p -137.14 137.68 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.584 HD13 ' SD ' ' A' ' 452' ' ' MET . 85.0 mt -114.05 135.74 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . 0.488 ' CZ ' ' OE2' ' A' ' 528' ' ' GLU . 44.1 mtm180 -128.61 143.71 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 29.62 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.584 ' SD ' HD13 ' A' ' 449' ' ' LEU . 5.1 ttp -86.36 -64.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 462' ' ' LEU . 14.4 m -139.75 132.15 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . 0.43 ' OD2' ' NH2' ' A' ' 523' ' ' ARG . 2.2 m-20 -62.02 159.67 35.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.618 0.723 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.63 4.22 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -87.85 -19.39 27.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -100.73 13.42 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.16 102.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -130.9 168.22 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.04 -31.67 62.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.13 -39.25 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 453' ' ' VAL . 28.5 tp -49.14 -55.23 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -40.78 -54.24 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.28 -46.87 93.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -53.23 -53.92 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.06 -36.67 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 23.4 m -63.87 -46.88 82.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.23 -23.87 63.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.62 -46.89 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.479 ' SG ' HG11 ' A' ' 500' ' ' VAL . 99.6 m -63.83 -45.48 89.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.543 ' HA2' HG23 ' A' ' 476' ' ' VAL . . . -34.75 -39.24 0.15 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -45.65 -50.22 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 24.2 m-85 -62.42 -45.08 94.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -177.51 -178.77 47.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.543 HG23 ' HA2' ' A' ' 471' ' ' GLY . 84.5 t -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -83.66 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 478' ' ' ARG . 1.4 ptp180 -153.52 164.94 37.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 47.4 t -143.64 126.95 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.07 136.35 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.2 mt -113.9 96.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -101.69 153.37 19.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.02 136.04 24.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.81 163.18 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 6.6 mm -96.19 137.6 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.474 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.9 pp -123.27 167.55 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 86.3 t -128.89 123.7 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -98.71 116.03 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.61 122.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.83 134.69 47.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.682 HG12 ' CE1' ' A' ' 502' ' ' PHE . 98.4 t -137.14 108.35 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -104.65 140.5 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.682 ' CE1' HG12 ' A' ' 500' ' ' VAL . 7.8 m-85 -114.8 179.81 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 92.9 p -68.44 -41.54 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.721 HD11 ' HG2' ' A' ' 507' ' ' GLU . 6.7 pt -121.64 173.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.96 -34.37 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.2 t -49.13 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.721 ' HG2' HD11 ' A' ' 504' ' ' ILE . 5.2 mm-40 -46.21 -45.46 16.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.634 HG23 ' HB2' ' A' ' 447' ' ' MET . 81.9 m -55.25 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -44.28 -45.27 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -59.51 -54.44 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.546 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.69 -46.36 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 516' ' ' ASN . 66.9 mt -63.77 -54.1 36.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -49.88 -27.33 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -86.92 -52.42 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.777 HD23 ' HG3' ' A' ' 518' ' ' ARG . 43.1 mt -89.17 19.94 4.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.6 t30 -79.11 -5.9 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -164.78 23.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.777 ' HG3' HD23 ' A' ' 515' ' ' LEU . 9.4 mmt180 -64.53 159.89 20.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -108.63 120.76 43.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 28.1 t80 -92.19 158.46 16.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.536 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.95 86.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.44 13.38 81.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . 0.43 ' NH2' ' OD2' ' A' ' 454' ' ' ASP . 66.0 mtt180 -145.84 171.4 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -117.39 140.03 50.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 520' ' ' PHE . 90.3 t -105.47 143.59 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . 0.48 HG12 HH21 ' A' ' 450' ' ' ARG . 90.5 t -137.27 107.36 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.61 144.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.499 ' O ' HG12 ' A' ' 448' ' ' VAL . 5.1 pt-20 -159.29 170.72 21.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.37 120.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.958 0.409 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.902 HG23 ' OE1' ' A' ' 501' ' ' GLU . 11.4 t -109.86 16.09 22.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.488 HG22 ' OE1' ' A' ' 501' ' ' GLU . 59.3 t -118.28 125.85 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.469 ' SD ' ' CD2' ' A' ' 449' ' ' LEU . 8.8 tmm? -119.18 132.69 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.48 137.7 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.469 ' CD2' ' SD ' ' A' ' 447' ' ' MET . 19.8 mt -112.23 130.38 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -124.86 144.05 50.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.0 t30 71.48 36.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 14.2 ttt -89.48 -66.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.679 HG21 HD21 ' A' ' 462' ' ' LEU . 3.6 m -144.23 131.6 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.09 158.52 1.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -0.94 7.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -87.98 -22.75 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.88 4.41 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 28.4 mm -58.53 107.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -137.22 166.73 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.71 -11.55 60.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -87.5 -35.86 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.679 HD21 HG21 ' A' ' 453' ' ' VAL . 17.5 tp -50.42 -63.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' LEU . 7.3 tt0 -34.64 -58.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -53.18 -44.72 64.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -53.88 -60.71 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.77 -32.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 48.3 m -67.34 -52.03 45.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.38 -17.1 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -82.45 -40.24 21.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.439 ' SG ' HG11 ' A' ' 500' ' ' VAL . 28.9 m -73.73 -22.75 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -49.22 -40.33 29.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.435 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -46.54 -47.84 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -61.41 -55.48 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.29 -165.87 29.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -72.96 109.06 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.88 120.05 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.73 -52.65 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 478' ' ' ARG . 4.2 ptm85 -167.39 165.14 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 499' ' ' PHE . 64.8 t -138.48 142.06 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 45.5 mt -132.09 132.44 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.12 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -108.62 137.85 45.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -141.32 156.78 45.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -174.88 165.1 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 18.8 mm -108.46 118.32 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.799 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.2 pp -82.63 172.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . 0.643 ' N ' HD12 ' A' ' 495' ' ' ILE . 88.8 t -151.7 107.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . 0.47 ' HG3' HD13 ' A' ' 495' ' ' ILE . 40.9 mttp -98.75 112.16 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 65.2 mt -97.3 113.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' A' ' 530' ' ' TYR . 47.0 m-85 -94.76 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.439 HG11 ' SG ' ' A' ' 470' ' ' CYS . 83.2 t -133.27 104.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.902 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.9 tp10 -93.44 133.02 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -110.6 176.61 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -46.81 70.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.9 pt -123.08 165.73 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -70.53 -38.0 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 23.2 t -50.22 -62.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -45.69 -43.92 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 27.2 m -62.71 -59.62 4.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -40.85 -40.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -67.16 -58.77 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -43.45 -37.52 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 529' ' ' VAL . 68.7 mt -74.27 -43.62 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.59 -27.6 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -97.22 -53.78 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.63 HD23 ' HG3' ' A' ' 518' ' ' ARG . 29.4 mt -66.2 -4.49 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 0.9 OUTLIER -68.19 -8.5 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.82 19.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.63 ' HG3' HD23 ' A' ' 515' ' ' LEU . 13.0 mmt85 -56.85 157.84 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -109.79 120.71 43.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 522' ' ' GLY . 29.6 t80 -90.66 157.96 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.484 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.37 85.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.95 12.98 78.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -145.28 171.16 14.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.33 143.95 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 526' ' ' VAL . 16.6 t -109.04 156.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . 0.426 ' N ' HG12 ' A' ' 525' ' ' VAL . 86.4 t -143.74 105.09 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 515' ' ' LEU . . . -98.01 127.77 44.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 4.4 tt0 -124.23 163.98 20.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.837 HG22 HD13 ' A' ' 512' ' ' ILE . 25.1 t -90.05 115.08 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' A' ' 499' ' ' PHE . 25.7 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 501' ' ' GLU . 14.7 t -107.88 18.74 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.0 106.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -95.04 139.66 31.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.18 140.91 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 20.6 mt -115.93 141.01 48.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -132.64 167.85 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.9 t30 41.2 39.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.525 ' SD ' HD12 ' A' ' 498' ' ' ILE . 14.0 ttt -92.86 -58.2 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.438 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 4.9 m -142.99 144.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.26 159.99 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . 0.402 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.9 Cg_endo -69.79 -3.38 11.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -87.25 -38.38 16.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 458' ' ' ILE . 19.8 t70 -65.92 -30.61 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 457' ' ' ASP . 29.8 mm -36.61 118.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -158.99 167.69 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.61 -33.83 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.6 tp -53.35 -55.84 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 462' ' ' LEU . 15.0 tt0 -34.86 -54.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.31 -44.64 95.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.33 -47.22 72.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.03 -40.5 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.5 m -56.09 -42.83 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.0 -50.71 46.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -46.95 -48.29 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.451 ' SG ' HG11 ' A' ' 500' ' ' VAL . 59.0 m -65.99 -28.9 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.15 -29.91 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 23.2 m-85 -48.45 -62.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -162.89 -162.96 14.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.439 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -76.92 111.8 12.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.64 121.86 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -89.74 -59.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -137.54 151.31 48.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.86 113.71 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 22.0 mt -128.53 141.69 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.27 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -94.53 152.1 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -143.22 139.93 30.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 3.9 tp10 -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . 0.635 ' HG3' HD13 ' A' ' 494' ' ' ILE . 21.5 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.635 HD13 ' HG3' ' A' ' 485' ' ' LYS . 18.2 mm -93.99 98.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.764 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.8 pp -82.65 166.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 98.3 t -129.94 125.43 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -105.37 112.28 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . 0.525 HD12 ' SD ' ' A' ' 452' ' ' MET . 77.5 mt -97.97 116.28 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -96.78 118.27 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.451 HG11 ' SG ' ' A' ' 470' ' ' CYS . 75.1 t -122.21 103.26 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 445' ' ' THR . 44.2 tt0 -94.57 144.83 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -115.77 166.78 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 33.4 p -56.52 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.5 pt -121.22 164.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.67 -46.78 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 11.0 t -44.18 -54.53 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -43.39 70.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 96.4 m -56.1 -54.98 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -51.11 -46.47 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -54.17 -58.24 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.81 -42.07 25.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.06 -51.39 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -55.49 -27.29 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.73 -49.25 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.493 HD23 ' HG3' ' A' ' 518' ' ' ARG . 11.0 mt -91.77 22.95 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 1.5 t-20 -86.43 -1.66 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -169.25 24.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.493 ' HG3' HD23 ' A' ' 515' ' ' LEU . 11.7 mmt180 -65.83 158.58 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -105.66 120.85 42.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.581 ' HB2' HG23 ' A' ' 525' ' ' VAL . 28.2 t80 -91.73 158.26 16.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.425 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.72 89.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.27 11.3 85.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -143.93 171.35 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -116.57 135.36 53.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 520' ' ' PHE . 85.3 t -99.12 150.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 19.7 t -140.01 117.84 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 528' ' ' GLU . . . -100.96 160.43 14.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 527' ' ' ALA . 30.4 mt-10 -164.49 171.54 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 529' ' ' VAL . 8.0 p -106.81 116.73 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 29.0 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.97 0.414 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.759 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.4 t -111.37 13.14 21.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 42.1 t -110.95 129.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 33.4 ttp -121.08 139.26 53.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 528' ' ' GLU . 7.8 p -114.17 128.91 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.07 135.47 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 451' ' ' ASN . 76.2 mtp180 -130.16 175.82 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 450' ' ' ARG . 1.2 t30 37.38 43.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 5.0 ttt -99.78 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.439 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.6 m -140.4 133.34 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.29 159.31 4.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -1.9 9.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -89.93 -35.03 15.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.33 11.59 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.41 108.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -133.55 153.36 51.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 460' ' ' ASP . 0.0 OUTLIER -46.45 -31.89 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -43.74 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 18.4 tp -43.4 -61.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -39.18 -52.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.75 89.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -51.35 -47.66 62.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.17 -45.34 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 74.6 m -55.75 -44.57 77.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.93 -51.46 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -56.19 -31.42 63.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.517 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 93.7 m -76.88 -27.96 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -54.18 -35.15 54.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.43 -47.07 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 470' ' ' CYS . 24.6 m-85 -58.23 -54.58 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -169.18 -134.51 1.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -105.08 111.39 24.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.39 125.87 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.83 -52.75 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -157.14 171.22 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.0 t -146.0 141.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 14.6 mt -121.97 138.67 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 90.4 mt -113.64 92.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -93.15 122.58 35.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.39 106.89 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 5.2 tp10 -153.91 158.67 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . 0.607 ' HE3' HD11 ' A' ' 494' ' ' ILE . 17.7 ttmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 3.5 tp10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.607 HD11 ' HE3' ' A' ' 485' ' ' LYS . 22.2 mm -88.5 125.31 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.74 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -101.36 174.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 96.5 t -148.65 116.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -110.03 114.11 27.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.6 mt -97.07 112.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -96.79 130.73 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 97.4 t -124.47 108.22 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.759 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.3 tp10 -95.47 134.66 38.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -111.85 -178.7 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 21.2 t -73.42 -49.52 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.459 HD11 ' HG2' ' A' ' 507' ' ' GLU . 23.3 pt -113.96 172.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -78.49 -42.5 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 504' ' ' ILE . 3.3 mm-40 -44.05 -49.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 23.7 m -56.19 -53.18 60.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -47.12 -43.24 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -61.62 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -43.3 -35.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.9 mt -75.39 -54.59 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -45.61 -28.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -93.62 -61.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.61 -10.41 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 512' ' ' ILE . 25.7 t30 -72.93 -0.01 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.78 25.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -70.03 153.03 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -102.91 115.04 29.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.596 ' HB2' HG23 ' A' ' 525' ' ' VAL . 15.8 t80 -85.38 157.86 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.91 85.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.06 21.82 64.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -155.36 171.12 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -111.86 141.62 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.596 HG23 ' HB2' ' A' ' 520' ' ' PHE . 93.5 t -107.77 155.1 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . 0.459 ' N ' HG12 ' A' ' 525' ' ' VAL . 63.6 t -143.18 125.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -117.42 125.26 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 21.3 tt0 -110.07 167.09 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 529' ' ' VAL . 12.0 p -102.74 112.02 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.786 HG23 ' OE1' ' A' ' 501' ' ' GLU . 6.0 t -120.7 11.69 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.438 HG22 ' CD ' ' A' ' 501' ' ' GLU . 95.0 t -111.26 106.94 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.419 ' HG2' ' N ' ' A' ' 448' ' ' VAL . 36.1 ttp -101.04 154.12 18.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 447' ' ' MET . 4.2 p -125.85 135.0 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 25.1 mt -110.65 136.89 49.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -129.36 146.89 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 64.24 45.39 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.403 ' O ' HG13 ' A' ' 453' ' ' VAL . 13.2 ttt -88.39 -53.22 4.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.615 ' CG1' ' CZ ' ' A' ' 520' ' ' PHE . 2.4 m -155.0 147.45 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . 0.467 ' CG ' ' HD2' ' A' ' 455' ' ' PRO . 2.0 t70 -42.07 143.19 1.04 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 454' ' ' ASP . 53.4 Cg_endo -69.75 5.35 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -105.86 -20.65 13.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.76 -11.28 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.5 mm -53.01 117.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -140.83 161.95 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -41.86 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.65 -36.23 73.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.0 tp -47.82 -58.64 4.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 462' ' ' LEU . 20.4 tt0 -37.42 -51.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.44 -46.42 94.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.45 -40.73 68.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.41 -43.46 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 99.4 m -54.63 -43.11 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.98 -40.38 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.43 -33.95 73.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.602 ' SG ' HG11 ' A' ' 500' ' ' VAL . 68.6 m -87.3 -28.16 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.51 -39.64 5.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.07 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 470' ' ' CYS . 12.0 m-85 -38.8 -53.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -172.94 -170.65 36.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.36 114.4 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 470' ' ' CYS . 67.6 t -80.59 126.11 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -48.91 17.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -172.46 173.69 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.8 t -146.24 124.82 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 44.0 mt -113.36 122.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.48 110.86 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -119.59 134.78 55.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -143.57 130.75 20.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -160.46 136.71 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 494' ' ' ILE . 5.4 ttmm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 4.2 tp10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.32 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.544 HD13 ' HG3' ' A' ' 485' ' ' LYS . 24.7 mm -95.56 128.18 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.715 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -94.86 166.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . 0.46 ' N ' HD12 ' A' ' 495' ' ' ILE . 91.5 t -140.24 113.47 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . 0.413 ' HG3' HD13 ' A' ' 495' ' ' ILE . 43.8 mttp -109.86 116.93 32.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 69.1 mt -103.77 127.3 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.64 126.28 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.793 HG12 ' CE1' ' A' ' 502' ' ' PHE . 45.8 t -121.82 101.7 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.786 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.7 tp10 -96.09 129.32 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.793 ' CE1' HG12 ' A' ' 500' ' ' VAL . 48.2 m-85 -109.62 -177.68 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -41.28 29.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 21.8 pt -128.26 159.98 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.5 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.4 t -47.28 -64.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -44.29 -46.18 9.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.603 HG22 HD11 ' A' ' 512' ' ' ILE . 19.5 m -61.72 -51.55 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -45.69 -47.88 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.75 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.551 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -39.98 -36.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 508' ' ' THR . 62.8 mt -75.33 -57.01 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -42.39 -29.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.43 -58.56 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 511' ' ' ALA . 14.6 mt -57.7 -11.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -60.35 -11.32 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -156.88 16.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.428 ' CG ' ' HA ' ' A' ' 515' ' ' LEU . 14.0 mmt180 -55.69 153.31 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -108.28 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.615 ' CZ ' ' CG1' ' A' ' 453' ' ' VAL . 42.3 t80 -87.7 158.13 18.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.06 84.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 81.01 20.38 65.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -151.51 166.82 29.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -106.4 146.43 30.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 43.1 t -115.3 142.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 42.9 t -135.77 118.28 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . 0.414 ' C ' ' HG2' ' A' ' 528' ' ' GLU . . . -105.7 140.48 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 448' ' ' VAL . 5.4 mm-40 -145.45 158.73 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 39.2 t -84.78 125.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 33.8 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.5 t -98.55 13.07 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.92 115.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -105.54 151.77 23.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 528' ' ' GLU . 7.5 p -129.6 133.64 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 43.7 mt -103.43 140.37 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -130.93 158.11 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.1 t30 51.07 31.2 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.3 ttt -76.2 -69.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.58 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.2 m -142.03 131.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -51.04 158.55 1.18 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . 0.408 ' C ' HG12 ' A' ' 458' ' ' ILE . 53.7 Cg_endo -69.76 2.36 3.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -87.68 -32.18 19.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.82 17.36 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.408 HG12 ' C ' ' A' ' 455' ' ' PRO . 20.4 mm -70.25 114.49 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.415 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 58.7 m-20 -143.34 158.92 43.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -34.71 68.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.415 ' OD1' ' CB ' ' A' ' 459' ' ' ASP . 5.8 p-10 -63.26 -41.66 99.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 463' ' ' GLU . 32.1 tp -39.44 -59.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' LEU . 27.1 tt0 -36.26 -48.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.52 95.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 462' ' ' LEU . 27.7 mt-10 -57.68 -37.54 73.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.33 -39.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 80.9 m -64.56 -49.54 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.41 -48.69 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.74 -44.1 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.524 ' SG ' HG11 ' A' ' 500' ' ' VAL . 74.0 m -72.04 -31.55 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -50.67 -42.43 44.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -43.85 -56.53 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 28.1 m-85 -50.79 -55.52 16.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -165.6 -160.91 13.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.18 112.82 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.32 139.33 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.63 -51.98 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -147.13 151.69 37.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.93 116.32 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.1 mt -134.76 139.67 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 50.7 mt -122.0 108.24 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -110.55 149.52 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -144.62 147.06 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -161.73 164.78 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.7 mm -115.91 106.74 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.678 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.3 pp -85.02 176.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 92.5 t -146.69 112.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -95.96 117.02 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.83 117.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -94.49 139.12 31.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.524 HG11 ' SG ' ' A' ' 470' ' ' CYS . 70.4 t -142.34 106.14 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -95.69 138.38 33.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.84 165.76 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 60.4 p -56.77 -43.66 81.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.4 pt -126.62 171.44 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.99 -41.78 63.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 9.9 t -47.78 -66.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -42.59 -42.98 3.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 8.9 m -57.31 -68.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -39.74 -39.88 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -61.44 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.538 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -45.39 -41.9 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.76 -62.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -45.58 -29.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.97 -49.71 9.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.13 28.89 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.77 -4.33 57.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.99 23.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -65.79 157.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -106.26 119.91 40.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.58 ' CZ ' HG12 ' A' ' 453' ' ' VAL . 33.4 t80 -89.55 157.96 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.93 83.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.69 15.98 66.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -149.56 171.19 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -118.26 135.26 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 520' ' ' PHE . 90.9 t -100.73 148.81 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 22.2 t -141.02 108.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.28 147.35 23.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.41 ' HG3' ' CG1' ' A' ' 448' ' ' VAL . 19.3 pt-20 -162.81 177.26 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 64.8 t -94.72 132.13 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.936 0.398 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.4 t -92.68 16.14 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 69.0 t -103.79 112.6 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.609 ' HB2' HG23 ' A' ' 508' ' ' THR . 38.4 ttp -99.34 159.88 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.729 HG13 ' OE2' ' A' ' 528' ' ' GLU . 2.5 p -137.62 129.74 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 45.1 mt -108.55 127.69 54.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . 0.444 ' NE ' HG11 ' A' ' 526' ' ' VAL . 1.5 ptm180 -132.0 146.11 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 524' ' ' LYS . 48.1 t30 74.0 24.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 6.1 ttt -89.27 -59.44 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.419 HG21 HD21 ' A' ' 462' ' ' LEU . 11.0 m -139.46 157.31 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -82.99 161.39 58.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . 0.469 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.3 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -90.9 -38.73 12.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.7 -20.23 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 44.5 mm -48.16 124.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -163.96 166.97 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.9 -23.33 18.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.78 -43.45 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 453' ' ' VAL . 25.1 tp -58.74 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -37.72 -49.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.48 -46.92 65.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.79 -46.44 67.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.31 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 31.2 m -52.91 -50.39 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -68.0 -51.83 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.39 -40.01 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.414 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 80.5 m -74.87 -37.58 62.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.52 -26.72 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -60.29 -54.53 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.507 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 38.5 m-85 -49.68 -43.98 47.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -179.34 -137.7 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -97.6 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.3 t -78.66 117.53 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -75.92 -52.97 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . 0.864 ' CZ ' HD11 ' A' ' 480' ' ' ILE . 9.3 ptm180 -164.02 158.69 19.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 77.7 t -126.03 147.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . 0.864 HD11 ' CZ ' ' A' ' 478' ' ' ARG . 70.2 mt -144.23 137.3 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 47.7 mt -117.33 106.52 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.62 139.45 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.31 123.62 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -134.51 153.14 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.318 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.32 139.08 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.748 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.0 pp -106.32 176.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 93.0 t -152.33 106.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -101.74 110.08 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.37 109.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -88.22 128.96 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.487 HG12 ' CE1' ' A' ' 502' ' ' PHE . 68.8 t -125.61 100.2 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.2 tp10 -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.487 ' CE1' HG12 ' A' ' 500' ' ' VAL . 42.7 m-85 -105.0 -178.78 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.4 t -76.64 -39.54 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 12.1 pt -128.23 148.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.51 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 28.1 t -51.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -44.75 -44.12 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 447' ' ' MET . 38.5 m -57.62 -58.55 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -44.66 -44.1 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.53 -61.54 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.07 -34.4 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 516' ' ' ASN . 93.2 mt -70.55 -57.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.9 -27.27 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.78 -53.53 5.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 527' ' ' ALA . 16.5 mt -91.13 24.23 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 2.4 t-20 -85.04 0.13 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -178.75 39.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 518' ' ' ARG . 3.2 mmp_? -77.92 166.65 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -110.07 103.4 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.489 ' HB2' HG22 ' A' ' 525' ' ' VAL . 32.0 t80 -79.08 157.98 27.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.89 96.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.064 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 66.11 29.74 75.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.527 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 27.9 mtp180 -162.01 164.67 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . 0.463 ' O ' ' ND2' ' A' ' 451' ' ' ASN . 11.7 tptm -102.85 143.66 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.489 HG22 ' HB2' ' A' ' 520' ' ' PHE . 21.9 t -102.05 144.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . 0.444 HG11 ' NE ' ' A' ' 450' ' ' ARG . 61.9 t -134.8 119.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 515' ' ' LEU . . . -124.86 138.12 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.729 ' OE2' HG13 ' A' ' 448' ' ' VAL . 2.5 pm0 -158.54 160.01 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 529' ' ' VAL . 10.8 p -86.75 119.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 65.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -103.2 13.73 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 59.1 t -108.07 116.69 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.597 ' CE ' HD21 ' A' ' 449' ' ' LEU . 31.2 ttp -106.17 139.84 40.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.524 HG21 ' HE2' ' A' ' 497' ' ' LYS . 11.6 p -109.02 134.1 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.597 HD21 ' CE ' ' A' ' 447' ' ' MET . 15.3 mt -112.96 138.05 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . 0.513 HH21 HG12 ' A' ' 526' ' ' VAL . 53.1 mtm180 -132.95 173.49 11.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 30.4 t30 37.36 45.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 21.5 ttt -102.46 -64.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.592 HG21 HD21 ' A' ' 462' ' ' LEU . 3.9 m -135.95 127.8 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -50.55 159.8 0.84 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . 0.417 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.8 Cg_endo -69.78 -3.74 12.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -86.72 -31.17 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.78 13.57 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 455' ' ' PRO . 44.5 mm -75.34 101.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -139.1 164.43 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.7 -38.49 78.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.29 -41.72 93.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.592 HD21 HG21 ' A' ' 453' ' ' VAL . 28.5 tp -52.37 -51.89 56.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -39.01 -52.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.09 -44.15 96.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.03 -51.16 44.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.0 -40.98 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 93.5 m -58.22 -45.18 88.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.34 -30.52 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.42 -48.5 69.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLY . 71.0 m -64.81 -34.69 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -36.26 -41.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.92 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -44.89 -55.14 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 507' ' ' GLU . . . -169.7 -169.91 33.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.95 114.8 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.99 125.67 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -90.29 -60.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -142.33 150.17 40.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.96 112.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 19.0 mt -127.31 130.3 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 45.8 mt -106.33 103.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.466 ' O ' HG13 ' A' ' 496' ' ' VAL . 23.1 t80 -104.33 150.34 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -145.56 162.27 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -167.87 162.81 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . 0.404 ' HG3' ' CD1' ' A' ' 494' ' ' ILE . 9.8 ttpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 32.2 mm -112.47 101.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.726 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.9 pp -94.69 155.71 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 482' ' ' TYR . 54.7 t -123.91 140.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . 0.524 ' HE2' HG21 ' A' ' 448' ' ' VAL . 7.6 mtpm? -116.22 106.23 13.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 50.5 mt -90.72 123.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -96.51 123.17 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.618 HG12 ' CE1' ' A' ' 502' ' ' PHE . 55.2 t -122.63 101.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -98.87 132.95 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.618 ' CE1' HG12 ' A' ' 500' ' ' VAL . 56.3 m-85 -108.76 165.97 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.4 m -62.76 -24.55 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.45 HD12 ' HB2' ' A' ' 506' ' ' SER . 17.6 pt -144.21 149.98 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.04 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . 0.45 ' HB2' HD12 ' A' ' 504' ' ' ILE . 26.2 m -45.54 -62.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.428 ' CD ' ' HA3' ' A' ' 474' ' ' GLY . 96.3 mt-10 -48.65 -36.1 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 15.0 m -66.22 -58.08 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -45.1 -46.17 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.67 -66.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -39.9 -30.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 514' ' ' ALA . 81.3 mt -80.93 -60.39 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -43.31 -23.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 512' ' ' ILE . . . -99.74 -57.97 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.937 HD23 ' HG3' ' A' ' 518' ' ' ARG . 29.6 mt -62.51 -7.97 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -62.26 -9.99 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.91 40.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.937 ' HG3' HD23 ' A' ' 515' ' ' LEU . 9.1 mmm180 -73.18 162.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -113.2 114.07 26.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.576 ' HB2' HG23 ' A' ' 525' ' ' VAL . 36.5 t80 -86.62 158.32 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.23 84.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.84 14.2 75.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -147.4 171.46 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -113.49 141.57 46.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 520' ' ' PHE . 76.2 t -110.01 151.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . 0.513 HG12 HH21 ' A' ' 450' ' ' ARG . 83.7 t -134.82 119.84 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -115.68 144.76 43.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.48 ' HG3' HG12 ' A' ' 448' ' ' VAL . 7.7 pt-20 -159.08 161.83 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.85 151.57 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.9 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.4 t -88.89 9.26 25.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 501' ' ' GLU . 13.0 t -108.97 107.48 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.434 ' CG ' ' N ' ' A' ' 448' ' ' VAL . 26.0 ttp -98.52 159.79 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 528' ' ' GLU . 10.5 p -133.95 139.57 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 69.0 mt -115.51 127.66 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -120.29 134.38 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 17.7 t30 71.88 46.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.499 ' HG2' HG13 ' A' ' 453' ' ' VAL . 14.0 ttt -95.11 -61.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.749 HG21 HD21 ' A' ' 462' ' ' LEU . 25.4 m -135.18 137.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.6 158.09 61.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -17.27 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -96.76 13.17 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 43.0 mm -60.13 102.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -138.96 162.89 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -74.17 -37.23 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.749 HD21 HG21 ' A' ' 453' ' ' VAL . 33.7 tp -53.08 -52.97 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.5 -57.56 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -57.96 -41.61 94.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.55 -50.31 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.19 -41.11 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 70.9 m -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -70.77 -25.66 63.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.95 -55.35 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.539 ' SG ' HG11 ' A' ' 500' ' ' VAL . 99.2 m -55.45 -33.92 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -43.51 -37.28 3.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -47.0 -44.97 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 32.2 m-85 -66.43 -47.78 72.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -175.97 -154.26 11.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -81.42 109.41 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.48 132.38 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 6.5 t-20 -85.52 -58.82 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -163.61 165.6 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -137.16 141.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 46.9 mt -134.2 133.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 56.2 mt -106.07 105.75 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -108.4 130.31 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -144.4 140.44 29.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -162.39 157.02 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.412 ' O ' HD13 ' A' ' 494' ' ' ILE . 9.3 tp10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.78 0.324 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 493' ' ' GLU . 16.1 mm -131.48 107.78 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.731 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -87.85 163.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -139.46 105.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -95.67 116.43 28.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.54 142.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -115.39 132.6 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.587 HG12 ' CE1' ' A' ' 502' ' ' PHE . 54.7 t -134.3 100.57 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.543 ' HG3' HG22 ' A' ' 446' ' ' VAL . 12.0 tt0 -100.77 136.18 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.587 ' CE1' HG12 ' A' ' 500' ' ' VAL . 41.7 m-85 -111.46 173.02 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 27.0 t -60.48 -52.99 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.44 HD11 ' HG2' ' A' ' 507' ' ' GLU . 22.2 pt -112.63 169.54 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.8 55.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -47.78 -60.76 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.44 ' HG2' HD11 ' A' ' 504' ' ' ILE . 14.5 mm-40 -47.66 -44.86 27.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 94.7 m -54.85 -60.6 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -45.67 -46.09 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -55.51 -63.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.539 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.27 -45.96 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.401 ' CG1' ' SD ' ' A' ' 447' ' ' MET . 95.7 mt -58.2 -61.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -45.93 -29.49 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -45.84 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 518' ' ' ARG . 6.5 mt -95.84 23.69 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -83.06 -3.75 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.49 22.56 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.505 ' HG3' HD23 ' A' ' 515' ' ' LEU . 6.9 mmp_? -64.73 159.87 21.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 524' ' ' LYS . 36.7 m95 -116.74 102.76 9.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 522' ' ' GLY . 20.9 t80 -80.13 160.25 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.82 89.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 68.01 28.45 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 520' ' ' PHE . 35.8 mmt180 -154.22 120.18 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 519' ' ' TRP . 19.0 tttm -77.84 116.92 18.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 28.3 t -79.8 148.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 39.7 t -142.98 104.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.84 138.61 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.505 ' O ' HG12 ' A' ' 448' ' ' VAL . 8.7 pt-20 -155.31 174.55 15.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.29 145.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.0 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.918 0.389 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.8 t -127.17 11.51 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 77.5 t -115.75 102.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 32.5 ttp -93.12 136.03 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 448' ' ' VAL . 12.5 p -109.36 115.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.45 138.16 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 451' ' ' ASN . 0.6 OUTLIER -120.82 167.71 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 450' ' ' ARG . 11.2 t-20 34.28 39.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 ttt -83.66 -66.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.648 HG21 HD21 ' A' ' 462' ' ' LEU . 27.3 m -135.22 128.21 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . 0.491 ' OD1' ' CZ ' ' A' ' 523' ' ' ARG . 1.4 m-20 -56.37 159.43 6.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.73 3.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.83 -20.82 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.31 11.63 23.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.0 mm -60.89 99.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -137.97 178.64 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.63 -40.02 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.89 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.648 HD21 HG21 ' A' ' 453' ' ' VAL . 16.4 tp -47.46 -57.28 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.3 tt0 -38.03 -53.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.11 98.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.45 -50.24 65.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -40.04 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.2 m -59.63 -59.34 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.26 -45.09 88.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.77 -41.05 61.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.404 ' HB2' HG21 ' A' ' 476' ' ' VAL . 99.1 m -68.64 -35.76 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -38.11 -41.71 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -63.16 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 14.7 m-85 -48.86 -39.93 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 166.41 -175.13 41.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -55.83 120.64 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.404 HG21 ' HB2' ' A' ' 470' ' ' CYS . 59.2 t -88.01 122.98 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.5 -52.31 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.6 ptm85 -165.93 171.22 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.8 122.97 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 61.3 mt -115.84 129.98 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 64.2 mt -112.14 106.47 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.92 143.34 39.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -146.51 121.22 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -133.94 166.39 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 20.4 mm -122.14 103.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -77.83 152.6 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 54.8 t -130.86 106.93 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . 0.444 ' HG3' HD13 ' A' ' 495' ' ' ILE . 71.8 mttt -99.91 117.99 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 64.0 mt -110.04 113.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -90.91 140.12 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.672 HG12 ' CE1' ' A' ' 502' ' ' PHE . 61.1 t -129.34 111.32 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.425 ' HB3' ' CG ' ' A' ' 478' ' ' ARG . 9.0 tp10 -95.18 125.57 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.672 ' CE1' HG12 ' A' ' 500' ' ' VAL . 83.9 m-85 -110.63 170.28 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 78.3 p -63.07 -47.42 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 506' ' ' SER . 16.0 pt -126.64 162.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.59 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . 0.416 ' HB3' HD12 ' A' ' 504' ' ' ILE . 3.0 t -53.63 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -50.13 -45.84 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 12.1 m -58.95 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -42.03 -41.1 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.67 -56.96 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.62 -36.85 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.86 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -41.56 -30.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.98 -48.65 9.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.509 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 17.4 mt -89.44 24.64 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -86.5 -0.89 57.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -174.93 37.07 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -79.12 159.28 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -103.4 111.05 23.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.451 ' HB2' ' CG2' ' A' ' 525' ' ' VAL . 29.9 t80 -82.19 158.15 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.46 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 74.11 22.62 77.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 454' ' ' ASP . 96.7 mtt180 -155.93 169.36 24.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -106.61 150.08 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 18.5 t -113.69 145.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . 0.822 HG12 ' OE1' ' A' ' 528' ' ' GLU . 18.3 t -142.07 111.0 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . 0.443 ' C ' ' OE1' ' A' ' 528' ' ' GLU . . . -101.71 129.22 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.822 ' OE1' HG12 ' A' ' 526' ' ' VAL . 3.1 mp0 -119.55 170.01 9.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.67 147.55 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.943 0.401 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.822 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.0 t -111.97 14.31 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.475 HG22 ' CD ' ' A' ' 501' ' ' GLU . 91.4 t -106.36 104.34 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.522 ' CE ' HD21 ' A' ' 449' ' ' LEU . 44.2 ttp -93.06 159.91 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 528' ' ' GLU . 2.4 p -133.87 124.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.522 HD21 ' CE ' ' A' ' 447' ' ' MET . 35.8 mt -100.23 129.15 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -126.39 165.08 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 24.5 t30 47.52 46.87 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 24.2 ttt -102.32 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.99 144.87 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . 0.462 ' CG ' ' HG2' ' A' ' 456' ' ' LYS . 40.9 p30 -59.67 153.17 53.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.92 15.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.462 ' HG2' ' CG ' ' A' ' 454' ' ' ASP . 1.0 OUTLIER -90.12 -16.28 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -96.17 8.95 42.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 13.6 mm -66.59 107.44 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.74 165.96 23.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -60.14 -29.78 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.3 -42.68 71.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 463' ' ' GLU . 46.1 tp -46.49 -63.14 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.7 tt0 -35.76 -48.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.88 93.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.34 -46.63 69.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.91 -41.18 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 62.9 m -59.45 -44.7 92.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -63.96 -60.88 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -49.56 -36.55 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 471' ' ' GLY . 99.2 m -72.72 -53.26 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -34.94 -37.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -48.17 -50.1 30.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.699 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 44.5 m-85 -57.52 -51.26 70.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.18 -160.08 18.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.1 109.96 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.52 118.71 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 503' ' ' SER . 3.4 m-20 -79.63 -46.98 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 478' ' ' ARG . 1.8 ptp180 -173.36 158.75 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 63.2 t -132.45 139.81 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 68.0 mt -128.02 138.22 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 71.6 mt -112.67 100.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -116.64 133.58 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -137.95 131.66 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.9 152.8 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . 0.535 ' HE2' HD11 ' A' ' 494' ' ' ILE . 12.3 ttmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.815 0.341 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.535 HD11 ' HE2' ' A' ' 485' ' ' LYS . 32.6 mm -110.6 118.56 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.725 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -91.78 177.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -138.6 121.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -107.18 109.59 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 66.4 mt -97.35 111.74 27.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -89.06 113.92 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 98.6 t -106.91 105.82 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.822 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.0 tp10 -97.08 128.3 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -104.38 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.475 ' N ' ' OD1' ' A' ' 477' ' ' ASN . 2.0 m -87.18 -33.8 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.712 HD11 ' CG ' ' A' ' 507' ' ' GLU . 0.2 OUTLIER -122.69 169.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.72 -34.34 22.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.8 m -59.33 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.712 ' CG ' HD11 ' A' ' 504' ' ' ILE . 0.8 OUTLIER -45.29 -39.91 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 3.5 m -63.97 -53.09 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -49.28 -38.8 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -64.76 -59.59 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.699 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -46.59 -33.61 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 47.7 mt -79.73 -54.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -46.61 -25.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.18 -58.54 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.569 ' CB ' ' HB2' ' A' ' 527' ' ' ALA . 18.0 mt -57.14 -16.66 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -52.81 -17.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -159.88 45.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -82.82 158.63 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -108.09 107.08 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.698 ' HB2' HG23 ' A' ' 525' ' ' VAL . 31.2 t80 -78.73 157.82 28.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.13 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.76 22.82 65.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -156.96 170.91 21.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -112.77 143.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 520' ' ' PHE . 63.0 t -115.49 146.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 72.1 t -133.15 114.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . 0.569 ' HB2' ' CB ' ' A' ' 515' ' ' LEU . . . -96.95 145.74 25.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.656 ' O ' HG12 ' A' ' 448' ' ' VAL . 12.1 mm-40 -148.92 155.09 40.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 529' ' ' VAL . 9.1 p -94.22 123.19 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.892 0.377 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 t -131.67 7.2 4.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 18.2 t -109.14 111.21 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.492 ' CE ' HD21 ' A' ' 449' ' ' LEU . 35.3 ttp -99.94 129.31 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 497' ' ' LYS . 2.6 p -109.71 116.95 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.492 HD21 ' CE ' ' A' ' 447' ' ' MET . 20.6 mt -94.73 138.41 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -130.44 139.38 50.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 523' ' ' ARG . 1.5 t30 69.58 49.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.411 ' CE ' HG22 ' A' ' 466' ' ' VAL . 12.7 ttt -98.17 -62.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.84 134.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.29 158.45 19.46 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.75 10.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.649 2.233 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -86.91 -17.27 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.84 9.25 43.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 49.8 mm -61.29 106.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -137.37 172.14 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.23 -48.91 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.52 -31.54 64.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 463' ' ' GLU . 26.0 tp -51.15 -67.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 16.9 tt0 -34.83 -43.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -68.22 -46.31 65.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 462' ' ' LEU . 11.7 mm-40 -52.22 -49.46 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.411 HG22 ' CE ' ' A' ' 452' ' ' MET . 89.9 t -63.82 -43.54 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 38.6 m -60.1 -47.59 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.02 -50.83 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.14 -38.11 56.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 68.1 m -69.39 -29.47 67.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.71 -28.8 60.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -55.27 -39.46 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 25.7 m-85 -71.95 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -159.82 -150.44 5.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -84.96 110.32 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 59.1 t -67.3 116.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 7.6 t-20 -75.86 -56.19 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 3.7 ptm85 -165.48 163.64 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 88.9 t -133.72 133.72 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 73.7 mt -118.98 125.93 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 91.1 mt -104.93 105.23 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -109.12 124.08 50.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -137.49 121.23 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -160.01 150.68 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . 0.801 ' HE3' HD11 ' A' ' 494' ' ' ILE . 24.7 ttmt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.801 HD11 ' HE3' ' A' ' 485' ' ' LYS . 22.6 mm -92.11 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -70.96 166.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 55.1 t -144.66 121.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . 0.466 ' HG3' HG23 ' A' ' 448' ' ' VAL . 3.6 tppt? -110.92 123.05 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.21 110.55 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 497' ' ' LYS . 32.6 m-85 -92.89 142.94 26.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . 0.598 HG12 ' CE1' ' A' ' 502' ' ' PHE . 74.9 t -138.74 107.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 27.2 tt0 -99.08 135.15 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.598 ' CE1' HG12 ' A' ' 500' ' ' VAL . 27.8 m-85 -107.0 172.54 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 72.8 p -64.57 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.9 pt -128.71 154.51 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.36 77.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -42.45 -64.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -42.24 -48.83 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 7.3 m -57.24 -55.95 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -43.07 -44.52 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.7 -58.25 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.409 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.7 -45.23 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 516' ' ' ASN . 52.0 mt -60.15 -58.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -50.43 -24.7 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.88 -50.44 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 518' ' ' ARG . 21.5 mt -97.2 22.07 9.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.8 t30 -84.74 -0.83 55.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.46 29.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.474 ' HG3' HD23 ' A' ' 515' ' ' LEU . 4.4 mmt-85 -71.22 161.34 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -119.31 102.05 8.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 15.6 t80 -82.1 158.46 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.531 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -44.87 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 59.2 35.03 82.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 44.4 mtp180 -163.3 119.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -77.09 120.56 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 55.9 t -79.65 150.55 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.67 111.47 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.19 117.06 33.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.541 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 9.6 tt0 -109.47 165.7 11.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.541 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 9.8 p -102.34 125.56 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.1 t -104.99 19.73 20.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 62.1 t -118.52 97.83 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 447' ' ' MET . 8.7 tmm? -93.69 136.95 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . 0.548 HG13 ' HB3' ' A' ' 528' ' ' GLU . 7.1 p -116.55 132.17 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 93.9 mt -99.35 133.69 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -127.61 140.99 51.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 68.04 42.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 16.7 ttt -94.69 -60.93 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.406 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 11.1 m -141.77 127.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.68 158.63 0.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.53 4.35 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -86.75 -30.73 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.14 19.0 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 33.8 mm -73.38 107.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.12 -38.54 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.04 -42.62 98.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 36.0 tp -43.91 -54.98 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -41.74 -52.48 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.53 -47.4 91.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -48.5 -57.53 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.68 -42.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.8 m -57.97 -53.65 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.1 -48.26 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -58.16 -61.55 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' GLY . 92.0 m -40.68 -43.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -38.27 -38.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.88 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 18.6 m-85 -46.75 -46.0 20.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 179.36 -158.98 23.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -75.72 116.46 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.57 118.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -78.73 -55.84 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 478' ' ' ARG . 3.9 ptp180 -162.46 167.81 22.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 61.7 t -141.34 138.61 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 75.5 mt -137.78 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.3 mt -119.31 104.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -109.09 132.78 53.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -142.28 128.73 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -147.35 163.14 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 13.3 tttp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 51.0 mm -118.93 126.51 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.719 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.0 pp -101.36 156.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 74.4 t -131.49 109.77 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -92.93 123.63 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.22 112.73 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -95.07 131.47 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 96.7 t -134.01 112.35 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.99 141.09 37.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.479 ' HD1' ' HG1' ' A' ' 508' ' ' THR . 96.4 m-85 -116.67 171.09 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.2 m -58.29 -47.25 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.404 ' CG1' ' HG2' ' A' ' 507' ' ' GLU . 25.0 pt -123.56 162.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.56 -41.12 80.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 5.8 t -44.14 -63.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.404 ' HG2' ' CG1' ' A' ' 504' ' ' ILE . 2.8 mm-40 -47.34 -46.8 25.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.479 ' HG1' ' HD1' ' A' ' 502' ' ' PHE . 91.3 m -57.05 -60.98 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -41.52 -42.72 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.21 -46.57 88.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.557 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -56.3 -40.88 75.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 516' ' ' ASN . 89.6 mt -66.48 -58.46 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -45.91 -35.86 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -77.92 -52.19 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.513 HD23 ' HG3' ' A' ' 518' ' ' ARG . 15.2 mt -89.2 25.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 516' ' ' ASN . 0.5 OUTLIER -86.5 -10.2 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -162.91 32.1 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.513 ' HG3' HD23 ' A' ' 515' ' ' LEU . 7.0 mmp_? -72.55 158.53 35.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -107.9 110.04 21.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.742 ' HB2' HG23 ' A' ' 525' ' ' VAL . 30.4 t80 -81.44 158.14 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.29 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 79.0 22.49 65.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -153.09 166.34 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -109.29 132.54 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.742 HG23 ' HB2' ' A' ' 520' ' ' PHE . 54.8 t -103.19 136.66 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.21 120.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -100.2 120.92 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . 0.548 ' HB3' HG13 ' A' ' 448' ' ' VAL . 32.5 tt0 -108.47 167.77 9.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 529' ' ' VAL . 11.2 p -108.88 114.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.98 0.419 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.41 HG23 ' HG3' ' A' ' 501' ' ' GLU . 12.5 t -84.04 20.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 45.8 t -108.72 100.67 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.612 ' HB2' HG22 ' A' ' 508' ' ' THR . 8.6 tmm? -96.39 133.61 40.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.5 p -120.08 137.85 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 16.9 mt -107.67 145.35 33.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -133.54 148.86 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.9 t30 56.43 35.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.525 ' HA ' HG22 ' A' ' 525' ' ' VAL . 8.1 ttt -93.46 -49.3 5.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.421 HG13 ' HG2' ' A' ' 452' ' ' MET . 3.4 m -142.2 133.8 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.26 158.75 26.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.54 0.686 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -92.03 -38.55 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' ILE . . . . . 0.404 HD11 HG11 ' A' ' 496' ' ' VAL . 35.3 mm -37.0 113.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.81 156.71 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.47 -27.68 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.36 -40.81 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 463' ' ' GLU . 18.2 tp -58.66 -57.54 12.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.5 tt0 -36.68 -57.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.63 94.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.62 -47.3 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.89 -44.44 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.5 m -56.96 -32.61 66.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -80.61 -36.93 32.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.69 -23.76 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 85.3 m -84.43 -2.54 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -77.81 -25.17 63.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 472' ' ' LYS . 3.0 mmtp -59.6 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.676 ' CZ ' HD11 ' A' ' 515' ' ' LEU . 45.6 m-85 -47.92 -45.85 31.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.29 -129.26 1.48 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -101.11 112.18 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.73 138.43 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -102.39 -62.0 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -146.33 157.44 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.09 113.85 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 17.7 mt -130.05 125.18 59.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 78.3 mt -104.69 98.45 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -98.13 132.0 44.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.87 129.31 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -144.43 159.18 43.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . 0.445 ' HD3' ' CD1' ' A' ' 494' ' ' ILE . 11.5 ttpt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' ILE . . . . . 0.445 ' CD1' ' HD3' ' A' ' 485' ' ' LYS . 13.6 mm -97.42 115.62 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.666 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -91.85 168.02 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' VAL . . . . . 0.404 HG11 HD11 ' A' ' 458' ' ' ILE . 93.6 t -139.49 117.53 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -101.06 118.81 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.28 119.14 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.95 124.06 43.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.66 104.62 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' HG23 ' A' ' 445' ' ' THR . 21.7 tt0 -100.7 134.46 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' PHE . . . . . 0.476 ' HD1' HG23 ' A' ' 508' ' ' THR . 79.5 m-85 -104.88 170.89 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 44.5 t -58.21 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 506' ' ' SER . 28.6 pt -119.71 155.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.82 82.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' SER . . . . . 0.5 ' HB3' HD12 ' A' ' 504' ' ' ILE . 43.0 t -48.67 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -44.52 -44.9 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.612 HG22 ' HB2' ' A' ' 447' ' ' MET . 1.3 m -56.98 -61.66 2.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -42.34 -44.53 3.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -57.36 -55.03 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -49.58 -38.19 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.2 mt -68.83 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -44.43 -24.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.79 -45.15 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.676 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 1.0 OUTLIER -98.54 31.45 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -89.83 -3.54 58.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.29 29.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -66.26 158.39 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -117.5 100.4 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.501 ' HB2' HG23 ' A' ' 525' ' ' VAL . 18.6 t80 -76.9 159.43 30.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -47.62 89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 69.74 28.96 71.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 520' ' ' PHE . 79.4 mtt180 -156.22 123.78 5.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -80.24 118.9 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.525 HG22 ' HA ' ' A' ' 452' ' ' MET . 94.8 t -84.94 157.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' VAL . . . . . 0.495 ' N ' HG12 ' A' ' 525' ' ' VAL . 19.9 t -149.01 116.12 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -98.46 139.96 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -143.14 159.45 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 529' ' ' VAL . 7.0 p -94.63 117.16 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 52.9 p -113.02 42.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 25.0 m 41.19 42.12 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 152.93 141.38 3.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 73.0 p -96.19 -44.93 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.0 t -123.58 150.52 43.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 138.19 173.95 13.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -138.33 155.78 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.68 174.82 5.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 23.5 mt -81.84 42.57 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -94.95 149.89 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -89.94 174.5 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -105.86 88.16 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.45 158.69 7.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.6 t -90.85 122.11 33.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.622 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.3 t -109.23 28.04 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.597 HG22 ' OE1' ' A' ' 501' ' ' GLU . 61.9 t -122.01 107.04 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.53 ' CE ' HD21 ' A' ' 449' ' ' LEU . 46.6 ttp -92.96 143.06 26.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 448' ' ' VAL . 9.3 p -118.97 111.8 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.53 HD21 ' CE ' ' A' ' 447' ' ' MET . 19.9 mt -88.38 140.84 29.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 450' ' ' ARG . 7.3 mtp-105 -134.59 155.07 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 26.2 t30 62.16 26.26 15.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 498' ' ' ILE . 11.1 ttt -73.32 -68.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.15 139.94 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.71 160.14 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . 0.434 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.8 Cg_endo -69.78 2.01 3.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -90.31 -39.87 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.11 -22.59 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.513 HD13 ' CD2' ' A' ' 462' ' ' LEU . 46.1 mm -47.57 108.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -138.34 165.93 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -56.27 -16.35 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -84.6 -42.88 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.513 ' CD2' HD13 ' A' ' 458' ' ' ILE . 20.3 tp -43.56 -62.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 462' ' ' LEU . 18.7 tt0 -36.57 -57.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.05 -45.34 93.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.06 -33.5 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 21.2 m -66.42 -48.91 68.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -68.46 -30.11 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.45 -36.45 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 57.7 m -76.51 -30.18 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.91 -27.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.48 -55.38 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' A' ' 515' ' ' LEU . 27.0 m-85 -52.31 -59.11 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -164.63 -159.2 10.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.28 109.95 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.34 117.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.12 -53.38 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -167.29 160.53 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 84.4 t -130.23 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 20.4 mt -131.74 125.52 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 65.7 mt -105.8 113.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -120.8 125.87 48.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -136.99 149.52 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -167.51 174.84 7.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -88.93 137.36 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -119.88 23.89 10.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -141.7 139.95 9.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -64.78 -35.2 80.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 15.1 mt-10 -47.63 147.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.69 -41.27 94.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -112.81 33.42 5.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 489' ' ' GLU . . . -51.73 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.582 ' O ' HD13 ' A' ' 494' ' ' ILE . 20.9 tt0 -82.53 155.76 24.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 493' ' ' GLU . 11.5 mm -124.78 119.31 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.699 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.9 pp -92.47 168.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 75.3 t -136.94 120.56 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -107.1 109.66 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . 0.505 HD13 ' SD ' ' A' ' 452' ' ' MET . 59.5 mt -102.11 110.96 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -95.77 128.09 42.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.429 HG12 ' CE1' ' A' ' 502' ' ' PHE . 41.0 t -122.6 104.63 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.622 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.1 tp10 -89.98 129.35 36.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 500' ' ' VAL . 46.1 m-85 -104.72 -176.93 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 35.1 t -82.2 -34.41 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 162.23 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.75 70.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.6 t -46.69 -58.11 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -50.91 -51.11 55.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 98.3 m -53.4 -45.97 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.53 -41.19 76.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -61.18 -57.83 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.403 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -51.43 -35.47 39.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 516' ' ' ASN . 97.2 mt -73.51 -52.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -55.74 -24.73 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -94.73 -63.53 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 9.8 mt -60.6 -9.83 4.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 1.0 OUTLIER -59.57 -10.7 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.13 36.15 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.404 ' HG3' HD23 ' A' ' 515' ' ' LEU . 1.7 mmp_? -76.6 162.01 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.842 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -106.45 117.13 33.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.813 ' HB2' HG23 ' A' ' 525' ' ' VAL . 34.8 t80 -87.37 157.85 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.4 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.89 84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.31 21.09 65.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -154.61 171.18 19.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -108.45 140.29 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 520' ' ' PHE . 43.1 t -108.58 145.24 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.79 111.37 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.5 116.06 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -111.77 165.07 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 529' ' ' VAL . 1.9 p -94.46 128.41 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -86.89 176.31 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.06 114.34 28.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 533' ' ' GLU . 0.0 OUTLIER -63.98 -46.26 85.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 532' ' ' GLN . 4.4 pt-20 -39.22 -60.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -66.66 -33.68 76.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.533 ' CD2' HG21 ' A' ' 446' ' ' VAL . 4.0 t80 -58.1 -17.56 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -52.65 -40.88 63.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -107.22 -176.65 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 3.9 m -98.63 44.53 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.57 90.28 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 540' ' ' LEU . 4.4 mm? -83.94 -59.64 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 34.6 t -43.4 -49.94 6.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -114.51 179.13 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 60.6 p -116.44 118.46 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 59.97 150.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.4 m -66.65 127.3 31.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 39.0 p -40.68 -47.94 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 431' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 430' ' ' GLY . 32.6 p -36.25 -59.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 21.5 t -71.72 82.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 146.89 -100.85 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.7 m -59.16 159.99 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 1.4 t -153.44 131.5 11.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -73.82 101.86 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -125.8 141.14 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 64.4 mt -117.44 165.16 13.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.04 -53.95 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -59.55 145.2 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -113.1 119.84 39.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -91.44 153.23 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -39.75 138.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.5 m -106.74 113.9 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 t -116.27 7.42 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.422 HG21 ' CG ' ' A' ' 535' ' ' PHE . 17.4 t -100.06 132.24 45.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 45.0 ttp -121.72 158.68 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.635 HG13 ' HB2' ' A' ' 528' ' ' GLU . 2.3 p -131.94 123.0 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.529 HD21 HD13 ' A' ' 515' ' ' LEU . 51.6 mt -101.8 134.81 44.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -133.74 153.78 51.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 21.8 t30 60.31 47.47 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.418 ' HG2' HG13 ' A' ' 453' ' ' VAL . 8.0 ttt -113.17 -58.16 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 462' ' ' LEU . 13.4 m -138.54 119.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.79 160.61 2.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -0.85 7.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -90.75 -12.92 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -102.84 8.25 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.19 101.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.62 168.19 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.32 -42.41 30.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.79 96.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 453' ' ' VAL . 37.6 tp -43.03 -54.99 4.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -41.01 -58.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -52.86 -45.21 61.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.84 -58.92 5.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 62.3 t -53.21 -37.17 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.3 m -60.79 -49.5 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.02 -14.02 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -79.86 -38.45 32.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 71.9 m -75.99 -31.63 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -40.27 -33.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -51.89 -46.15 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 36.1 m-85 -59.93 -59.27 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.66 -152.94 7.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.46 110.0 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 70.1 t -68.2 147.73 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . 0.422 ' HB2' ' CA ' ' A' ' 502' ' ' PHE . 1.9 t-20 -108.23 -60.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -165.55 158.51 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.6 t -130.35 132.72 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 90.4 mt -124.64 126.9 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.754 HG22 HE22 ' A' ' 483' ' ' GLN . 62.3 mt -100.98 104.97 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -109.99 123.49 49.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . 0.754 HE22 HG22 ' A' ' 481' ' ' ILE . 0.0 OUTLIER -131.35 127.24 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -163.52 145.11 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.457 ' CA ' HD13 ' A' ' 494' ' ' ILE . 1.2 ttmp? -62.7 132.15 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -93.31 22.86 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -173.39 120.4 0.8 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -53.16 -22.97 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.83 128.8 38.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.94 -30.94 62.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.12 -20.66 65.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -66.97 135.51 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -96.69 142.02 29.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.457 HD13 ' CA ' ' A' ' 485' ' ' LYS . 17.5 mm -67.42 128.62 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.715 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.7 pp -95.95 166.59 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . 0.401 ' N ' HD12 ' A' ' 495' ' ' ILE . 96.3 t -128.43 100.98 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 448' ' ' VAL . 1.2 tppp? -97.42 110.6 23.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -98.99 131.38 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 540' ' ' LEU . 76.8 m-85 -111.17 126.51 54.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.37 112.04 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 51.1 tt0 -105.19 143.12 33.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 502' ' ' PHE . 4.0 m-85 -116.52 173.18 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 47.3 t -64.32 -48.99 73.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.517 HD11 ' HG2' ' A' ' 507' ' ' GLU . 13.8 pt -113.82 172.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -81.81 -30.68 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 3.1 t -54.24 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.517 ' HG2' HD11 ' A' ' 504' ' ' ILE . 22.1 mm-40 -45.06 -48.56 11.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 43.8 m -54.29 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.83 -42.04 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.44 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.678 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -40.99 -36.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.41 -58.04 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -44.86 -24.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -96.15 -56.34 2.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 511' ' ' ALA . 9.4 mt -63.64 -9.23 12.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -60.2 -11.52 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 27.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.464 ' HG3' HD23 ' A' ' 515' ' ' LEU . 13.7 mmt180 -64.38 160.17 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -108.41 119.25 38.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.654 ' HB2' HG23 ' A' ' 525' ' ' VAL . 30.0 t80 -89.63 158.03 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.497 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.85 85.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.73 15.14 78.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -147.62 171.2 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -107.57 146.18 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' A' ' 520' ' ' PHE . 79.5 t -113.66 147.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.83 122.5 38.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -108.8 148.24 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.635 ' HB2' HG13 ' A' ' 448' ' ' VAL . 17.0 mt-10 -150.29 157.51 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 529' ' ' VAL . 3.9 p -94.31 119.45 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -76.18 168.52 19.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -87.11 96.66 10.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -62.11 -34.79 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -43.15 -44.89 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -89.45 -29.38 19.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.422 ' CG ' HG21 ' A' ' 446' ' ' VAL . 39.2 t80 -56.91 -28.68 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -40.1 -46.56 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -100.68 -176.01 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 63.7 m -93.95 41.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.67 -44.62 96.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 499' ' ' PHE . 3.2 tt -50.69 -44.06 57.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.8 t -81.66 171.37 14.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -52.2 -54.18 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 5.8 t -73.78 89.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -109.78 -158.63 17.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 164.64 33.79 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 49.4 m -114.68 131.08 56.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 2.9 t -142.86 125.93 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 21.9 m -73.22 156.18 38.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 6.9 t -88.82 139.77 30.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 113.11 89.21 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.425 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 21.1 t -79.54 122.03 25.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 22.4 m -48.12 111.18 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -77.05 155.6 44.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -121.02 -26.81 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 8.9 tp -133.12 108.94 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 440' ' ' ARG . 3.9 tt -63.43 127.44 31.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.407 ' N ' HD23 ' A' ' 439' ' ' LEU . 0.1 OUTLIER -135.6 168.43 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 36.46 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -56.85 92.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . 0.741 ' HG3' ' HB2' ' A' ' 505' ' ' ALA . 1.1 pm0 -103.0 162.11 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 87.4 p -105.27 107.29 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.568 HG22 ' OE1' ' A' ' 532' ' ' GLN . 2.3 t -114.01 11.41 17.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.47 HG22 ' HG3' ' A' ' 501' ' ' GLU . 16.0 t -105.31 106.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.459 ' CE ' HD21 ' A' ' 449' ' ' LEU . 44.6 ttp -100.07 155.28 17.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 528' ' ' GLU . 7.1 p -131.43 130.95 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.459 HD21 ' CE ' ' A' ' 447' ' ' MET . 12.6 mt -103.57 140.77 37.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -139.69 140.78 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 28.6 t30 70.39 44.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 13.6 ttm -99.34 -53.17 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.474 HG21 HD21 ' A' ' 462' ' ' LEU . 3.5 m -149.32 142.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 160.75 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.703 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.281 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 457' ' ' ASP . 20.2 pttp -91.41 -36.59 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 456' ' ' LYS . 15.4 t0 -70.6 -28.62 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 457' ' ' ASP . 43.8 mm -36.52 123.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -150.9 152.6 33.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -51.97 -24.72 6.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 -33.63 44.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.474 HD21 HG21 ' A' ' 453' ' ' VAL . 32.8 tp -50.61 -58.39 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -39.16 -50.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.34 79.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -52.23 -50.74 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.8 t -62.53 -42.9 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 51.4 m -59.57 -45.21 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -72.4 -28.86 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.43 -35.44 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 471' ' ' GLY . 78.0 m -75.11 -36.97 61.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -37.67 -36.52 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -51.87 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.599 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 26.7 m-85 -57.83 -44.82 86.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.44 163.41 28.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -47.62 110.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.15 135.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -103.06 -55.84 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -145.99 151.54 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -142.86 116.1 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.36 132.58 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 79.7 mt -110.85 103.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -108.04 146.0 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.97 140.41 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -159.75 170.33 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.745 ' HD2' ' HB3' ' A' ' 492' ' ' ALA . 23.0 ttpp -86.67 134.06 33.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -114.54 23.18 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -136.71 138.91 10.18 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.425 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.66 -38.4 75.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 13.2 mt-10 -44.87 141.38 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -59.11 -45.45 90.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -105.13 30.62 5.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.745 ' HB3' ' HD2' ' A' ' 485' ' ' LYS . . . -50.63 -177.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -81.97 150.73 27.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.01 113.6 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.2 pp -85.2 171.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 90.0 t -134.97 109.78 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -99.13 115.02 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 49.7 mt -106.73 128.61 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -105.06 125.1 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 81.7 t -130.8 101.74 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.47 ' HG3' HG22 ' A' ' 446' ' ' VAL . 24.0 tt0 -102.72 141.88 34.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -113.02 179.76 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 22.4 t -68.58 -47.91 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.0 166.29 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . 0.741 ' HB2' ' HG3' ' A' ' 443' ' ' GLU . . . -72.64 -34.37 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -48.92 -62.34 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.95 -50.51 26.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -59.22 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -42.59 -44.06 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.72 -61.64 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.599 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -42.76 -37.89 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.044 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 516' ' ' ASN . 25.9 mt -73.55 -50.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -49.27 -29.46 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.1 -54.75 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.69 -8.85 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 512' ' ' ILE . 0.7 OUTLIER -64.21 -7.12 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.94 33.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -69.82 154.5 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -107.29 114.19 28.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 522' ' ' GLY . 24.1 t80 -84.08 157.77 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.482 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -53.24 83.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.95 18.7 60.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -152.77 171.12 18.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -117.11 143.43 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 526' ' ' VAL . 90.4 t -112.09 156.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . 0.473 ' N ' HG12 ' A' ' 525' ' ' VAL . 67.6 t -141.27 108.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.34 148.84 28.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.578 ' HG3' HG12 ' A' ' 448' ' ' VAL . 7.9 pt-20 -153.61 170.97 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 529' ' ' VAL . 10.6 p -94.78 111.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.455 ' CE2' ' CG ' ' A' ' 531' ' ' ASP . 42.8 t80 -88.66 167.27 13.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.455 ' CG ' ' CE2' ' A' ' 530' ' ' TYR . 2.1 p30 -64.1 156.21 29.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.568 ' OE1' HG22 ' A' ' 445' ' ' THR . 44.5 tt0 -123.77 -46.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -49.25 -58.74 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -72.12 -42.69 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -45.12 -31.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -41.03 -38.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.17 108.9 5.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 69.1 m -82.29 44.87 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.456 ' O ' ' CA ' ' A' ' 544' ' ' GLY . 6.3 m-20 -118.15 51.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.684 HD23 ' H ' ' A' ' 540' ' ' LEU . 1.0 OUTLIER -95.0 33.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 40.7 p -104.38 -33.55 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -122.4 -71.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 74.0 m -101.55 -68.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 539' ' ' ASP . . . 68.66 -158.6 52.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -16.31 37.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.272 . . . . 0.0 112.33 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 6.5 t -60.42 127.3 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 3.4 t -123.6 -45.79 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 15.9 m -81.23 103.79 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 6.4 m 45.67 50.46 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 163.28 146.57 4.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 435' ' ' SER . 21.0 t -53.53 151.08 6.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 434' ' ' SER . 71.0 m -37.52 116.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 123.1 34.61 0.77 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.526 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 146.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.25 144.47 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 10.7 tp -69.28 88.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -132.57 172.31 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -124.19 34.93 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.85 91.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -74.94 150.48 39.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 11.7 m -129.6 115.64 17.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.9 t -95.25 21.57 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.663 HG21 ' CD2' ' A' ' 535' ' ' PHE . 93.4 t -113.25 112.23 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 56.1 ttp -100.94 155.87 17.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 448' ' ' VAL . 13.3 p -133.46 118.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 62.2 mt -93.21 127.39 38.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -121.31 151.51 40.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 55.76 45.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.4 ttt -93.94 -59.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.599 HG21 HD21 ' A' ' 462' ' ' LEU . 4.7 m -144.1 149.07 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.3 161.45 69.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . 0.423 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.6 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -90.95 -38.1 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 458' ' ' ILE . 7.9 t0 -72.52 -32.82 66.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 457' ' ' ASP . 46.4 mm -34.03 100.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -136.77 161.6 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.0 -41.79 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.73 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.599 HD21 HG21 ' A' ' 453' ' ' VAL . 32.5 tp -54.06 -58.62 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.2 tt0 -34.94 -53.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.76 98.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -50.39 -45.27 55.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.22 -35.85 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.7 m -61.39 -50.73 71.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.98 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -54.55 -37.18 65.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.506 ' SG ' HG11 ' A' ' 500' ' ' VAL . 34.9 m -73.22 -33.42 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -46.38 -41.83 12.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -43.91 -50.24 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 30.1 m-85 -58.75 -58.0 10.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -167.78 -174.35 36.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -62.87 109.04 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.364 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.93 136.4 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 5.0 t-20 -95.57 -54.84 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -165.47 157.82 15.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 97.2 t -133.16 137.84 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.86 138.78 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 52.4 mt -116.4 103.47 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -108.84 141.4 40.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -146.9 149.08 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -165.44 156.05 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -81.33 131.58 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -109.84 28.74 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -152.59 141.63 8.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.67 -36.16 83.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -45.25 133.83 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . 0.424 ' OE1' ' CG ' ' A' ' 491' ' ' ASP . 1.9 pp20? -52.88 -34.42 54.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . 0.424 ' CG ' ' OE1' ' A' ' 490' ' ' GLU . 61.3 m-20 -113.78 29.55 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -51.68 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.97 144.43 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.4 mm -109.53 130.34 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -103.32 162.72 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 97.6 t -140.14 134.54 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -126.5 109.71 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 81.3 mt -95.98 113.58 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -90.83 111.04 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.506 HG11 ' SG ' ' A' ' 470' ' ' CYS . 93.4 t -113.92 103.77 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 33.5 tt0 -98.88 137.35 37.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.425 ' CE1' HG12 ' A' ' 500' ' ' VAL . 96.3 m-85 -112.54 171.54 7.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.6 t -57.21 -51.66 68.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 506' ' ' SER . 16.2 pt -121.89 165.15 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.75 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . 0.547 ' HB2' HD12 ' A' ' 504' ' ' ILE . 2.8 m -48.91 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -50.11 -42.0 49.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 10.8 m -59.71 -56.69 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -47.91 -41.99 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -58.62 -58.5 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.41 -46.04 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 516' ' ' ASN . 95.6 mt -59.96 -57.08 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -48.88 -30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -56.52 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 518' ' ' ARG . 23.8 mt -87.66 24.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 2.5 t30 -85.46 -1.0 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -171.17 34.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.451 ' HG3' HD23 ' A' ' 515' ' ' LEU . 6.9 mmp_? -80.63 154.07 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -100.64 111.81 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.617 ' HB2' HG23 ' A' ' 525' ' ' VAL . 21.1 t80 -85.25 157.89 20.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.95 98.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 64.91 29.85 76.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -162.97 166.09 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -111.36 143.17 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 520' ' ' PHE . 65.0 t -108.41 143.53 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 81.8 t -139.68 111.74 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.18 141.15 29.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -141.51 164.29 30.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 529' ' ' VAL . 14.5 p -106.57 111.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -89.63 158.22 17.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.43 133.9 55.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -101.24 -43.62 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -39.99 -41.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -91.74 -26.88 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.663 ' CD2' HG21 ' A' ' 446' ' ' VAL . 45.9 t80 -52.01 -28.63 17.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -46.02 -48.38 16.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -68.03 119.59 12.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 2.7 m -83.18 45.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -118.31 80.72 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 45.7 mt -85.14 -48.02 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 37.3 m -87.79 -48.5 7.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -66.73 156.62 34.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.1 m -56.82 94.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -93.55 -157.8 33.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.87 3.13 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 16.9 t -93.86 -51.3 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 18.9 m -66.07 149.15 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 21.7 m 45.75 42.63 8.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.807 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 3.5 m -117.32 78.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 109.25 90.88 2.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 31.3 m -86.57 97.59 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 1.7 t 62.22 32.06 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 140.21 115.72 1.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . 0.404 ' CD ' ' H ' ' A' ' 437' ' ' LYS . 0.0 OUTLIER -82.96 86.47 6.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.92 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 438' ' ' LEU . 1.6 mm? -131.58 119.53 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.33 -51.91 66.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -100.54 87.08 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -111.22 124.88 53.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.67 91.84 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -110.87 168.54 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 89.0 p -121.92 65.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -93.72 13.55 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.715 HG22 ' HG3' ' A' ' 501' ' ' GLU . 63.3 t -110.96 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 35.8 ttp -98.07 152.32 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.874 HG21 ' HE3' ' A' ' 497' ' ' LYS . 9.5 p -128.24 128.44 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 515' ' ' LEU . 57.1 mt -105.97 132.35 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 450' ' ' ARG . 11.8 mtp-105 -127.75 140.12 52.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.6 t30 73.99 36.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.1 ttt -91.15 -56.7 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 462' ' ' LEU . 23.1 m -147.5 121.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.62 161.04 0.42 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.833 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . 0.459 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.5 Cg_endo -69.73 1.84 4.06 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -89.34 -29.6 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -92.4 16.47 11.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 21.0 mm -72.19 100.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.36 168.56 14.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.83 -39.97 91.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.07 -43.25 99.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 453' ' ' VAL . 26.9 tp -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 462' ' ' LEU . 14.1 tm-20 -34.88 -58.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -54.83 -45.81 78.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.45 -45.67 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.23 -44.36 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.8 m -57.31 -52.85 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 471' ' ' GLY . 13.1 mm-40 -58.07 -65.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -40.1 -46.8 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 86.1 m -58.93 -37.82 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 468' ' ' GLU . . . -40.01 -46.02 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -38.94 -55.0 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.854 0.359 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 511' ' ' ALA . 55.9 m-85 -51.84 -55.83 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -173.1 -136.37 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -98.91 110.78 23.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.93 129.73 36.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -85.44 -49.99 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.4 ptm85 -168.39 168.04 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.827 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 500' ' ' VAL . 69.8 t -142.22 145.44 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 73.8 mt -140.95 135.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 56.7 mt -110.64 107.87 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -115.74 139.33 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -144.61 161.12 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 485' ' ' LYS . 11.1 tt0 -168.23 152.72 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 494' ' ' ILE . 10.7 tttp -76.27 132.76 40.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -104.93 28.97 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -166.7 135.51 3.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.32 -39.64 76.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.73 145.12 20.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -72.45 -12.92 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.34 10.95 25.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -60.69 169.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -75.51 148.58 38.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 24.4 mm -121.82 108.95 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.6 pp -82.11 170.97 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . 0.431 ' N ' HD12 ' A' ' 495' ' ' ILE . 70.9 t -144.04 123.93 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.874 ' HE3' HG21 ' A' ' 448' ' ' VAL . 15.9 tptt -110.14 109.69 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.02 117.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.96 124.68 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.415 HG22 HG22 ' A' ' 479' ' ' VAL . 43.6 t -130.27 100.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.715 ' HG3' HG22 ' A' ' 446' ' ' VAL . 12.2 tt0 -98.64 136.69 38.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -105.6 -177.9 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.4 m -74.7 -39.11 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.6 pt -126.12 168.52 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.37 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 12.1 t -43.62 -66.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -42.36 -44.38 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -61.67 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -40.51 -39.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -64.32 -58.65 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 473' ' ' PHE . . . -47.3 -35.32 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 75.1 mt -75.82 -45.3 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -51.14 -35.96 38.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.93 -59.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.592 HD13 HD21 ' A' ' 449' ' ' LEU . 44.9 mt -54.97 -21.16 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.407 ' ND2' ' C ' ' A' ' 516' ' ' ASN . 0.5 OUTLIER -47.61 -19.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -158.59 33.38 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -69.95 159.65 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -110.24 113.16 25.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.567 ' HB2' HG23 ' A' ' 525' ' ' VAL . 23.9 t80 -84.45 158.13 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.6 85.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.32 17.0 70.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.43 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -150.51 171.15 17.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -114.99 140.01 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 520' ' ' PHE . 75.9 t -108.88 149.43 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.24 108.95 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' ' 515' ' ' LEU . . . -96.02 133.62 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -140.15 174.76 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 47.6 t -97.39 112.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -76.71 172.1 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.416 ' HB3' ' CD ' ' A' ' 534' ' ' ARG . 42.7 t0 -85.58 105.64 16.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 533' ' ' GLU . 39.2 tt0 -62.88 -50.84 69.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . 0.505 ' CD ' ' N ' ' A' ' 534' ' ' ARG . 2.9 tm-20 -34.59 -72.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' A' ' 533' ' ' GLU . 9.7 ptp180 -53.06 -35.49 59.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -60.49 -20.73 61.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -43.35 -36.01 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -108.52 121.94 46.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.573 ' O ' HD23 ' A' ' 540' ' ' LEU . 4.4 m -64.0 -15.08 58.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -82.68 55.19 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 540' ' ' LEU . 1.4 pt? -93.48 30.57 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.5 t -121.96 -64.45 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.12 -69.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 4.2 t -103.7 -66.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 54.25 -157.17 6.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.39 30.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.374 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 6.1 t -103.79 132.58 49.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.1 t -66.92 113.43 4.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 53.2 p -112.81 94.93 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 6.3 m -91.78 118.41 30.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 162.19 123.02 0.64 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 63.2 m -142.9 164.77 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 73.2 p -113.11 41.66 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -167.14 73.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -67.16 -51.67 50.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 50.3 mt -89.69 116.72 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.28 80.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -127.55 135.75 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -49.93 149.49 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -134.87 123.86 24.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . 0.599 ' HG3' ' HB2' ' A' ' 505' ' ' ALA . 0.1 OUTLIER -56.22 173.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 90.0 p -123.85 115.31 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.0 t -116.16 8.63 14.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 535' ' ' PHE . 30.3 t -105.0 127.05 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 449' ' ' LEU . 39.0 ttp -121.33 161.55 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.479 ' N ' ' HG2' ' A' ' 447' ' ' MET . 1.5 p -132.75 124.29 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.495 HD21 ' SD ' ' A' ' 447' ' ' MET . 22.7 mt -105.36 126.12 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -124.48 151.2 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.5 t30 66.56 31.19 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 3.5 ttt -83.04 -59.32 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.433 HG21 HD21 ' A' ' 462' ' ' LEU . 23.4 m -147.19 147.96 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.38 160.11 44.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -1.33 8.23 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -93.47 -6.51 46.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.63 4.07 35.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.01 112.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -148.11 149.45 32.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -30.53 2.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -72.5 -43.69 63.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.433 HD21 HG21 ' A' ' 453' ' ' VAL . 34.2 tp -48.52 -51.2 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -41.58 -55.52 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.31 -42.32 99.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -51.11 -51.83 49.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.98 -44.26 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . 0.711 HG23 HG11 ' A' ' 476' ' ' VAL . 28.4 m -57.15 -41.75 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -64.49 -50.57 66.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.38 -48.2 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 97.2 m -59.34 -33.72 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.08 -33.59 3.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -48.5 66.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.809 0.337 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.502 ' CE1' ' HA ' ' A' ' 511' ' ' ALA . 38.4 m-85 -60.26 -54.01 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . 0.403 ' HA3' ' CD ' ' A' ' 507' ' ' GLU . . . -170.4 -141.92 3.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -93.18 116.43 29.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.711 HG11 HG23 ' A' ' 467' ' ' THR . 98.4 t -72.88 120.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -78.69 -56.94 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -163.41 158.13 20.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 98.7 t -133.49 144.33 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.0 141.37 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.0 105.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.53 129.58 56.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -138.2 152.62 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -172.26 160.26 5.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -75.46 135.56 40.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -115.62 23.78 12.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -152.62 145.54 13.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.89 -28.5 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 80.7 mm-40 -48.16 136.94 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -56.34 -31.36 63.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -119.14 34.24 5.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 489' ' ' GLU . . . -56.82 170.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -76.41 147.65 37.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 47.2 mm -113.78 111.59 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.727 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.8 pp -80.23 163.45 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 72.7 t -140.4 115.36 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -103.85 114.47 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.08 109.25 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -88.46 124.49 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.4 108.86 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -106.56 137.3 44.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -107.34 171.37 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 42.7 t -59.8 -48.73 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 507' ' ' GLU . 7.3 pt -115.82 173.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . 0.599 ' HB2' ' HG3' ' A' ' 443' ' ' GLU . . . -78.54 -44.66 23.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 8.4 t -45.72 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 504' ' ' ILE . 10.7 mm-40 -44.24 -53.35 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 4.0 m -53.37 -58.86 5.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -42.68 -40.44 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -65.37 -54.21 32.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.502 ' HA ' ' CE1' ' A' ' 473' ' ' PHE . . . -49.69 -40.46 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.5 mt -68.09 -52.59 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -47.18 -36.76 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.61 -55.38 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.668 HD23 ' HG3' ' A' ' 518' ' ' ARG . 68.8 mt -69.36 -1.28 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 512' ' ' ILE . 1.4 t-20 -68.81 -10.28 55.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.43 17.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.668 ' HG3' HD23 ' A' ' 515' ' ' LEU . 10.8 mmm180 -56.96 158.47 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -113.91 109.48 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 34.1 t80 -79.24 158.2 27.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.431 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.95 94.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 75.4 13.65 82.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -147.71 170.61 17.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -112.11 148.07 34.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 151.27 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 20.6 t -141.32 118.47 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -107.93 129.13 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -135.61 170.44 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 72.3 t -98.94 107.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.418 ' CG ' ' N ' ' A' ' 531' ' ' ASP . 66.5 t80 -67.65 169.37 9.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.418 ' N ' ' CG ' ' A' ' 530' ' ' TYR . 17.7 m-20 -78.69 119.95 22.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -79.93 -43.45 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -39.57 -55.86 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -72.92 -36.24 67.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.461 ' CD2' HG21 ' A' ' 446' ' ' VAL . 9.6 t80 -47.84 -33.03 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -41.53 -40.61 1.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.85 -179.0 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 18.7 t -84.08 38.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 540' ' ' LEU . 5.2 t0 -42.72 -28.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 539' ' ' ASP . 14.7 mt -36.92 -69.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.7 p -109.85 14.82 23.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -117.52 170.01 9.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.6 t -79.59 -43.42 22.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 165.2 -158.13 30.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 89.0 p -76.81 167.47 21.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 73.2 m -66.59 113.82 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 39.2 m -106.49 150.13 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 63.2 p -137.37 162.96 32.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 80.32 -152.35 34.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 59.9 p -70.91 148.02 48.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 4.3 m -46.4 123.4 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 170.06 141.97 3.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -129.37 -62.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.325 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.57 -61.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 5.0 tp -91.22 133.05 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -133.72 44.43 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -89.36 87.85 7.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -73.02 115.75 12.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.07 144.19 26.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 21.1 m -118.58 94.84 4.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 t -97.54 26.99 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.82 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.634 ' HB2' HG23 ' A' ' 508' ' ' THR . 53.3 ttp -96.48 153.24 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 528' ' ' GLU . 9.9 p -137.14 137.68 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.584 HD13 ' SD ' ' A' ' 452' ' ' MET . 85.0 mt -114.05 135.74 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . 0.488 ' CZ ' ' OE2' ' A' ' 528' ' ' GLU . 44.1 mtm180 -128.61 143.71 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.2 29.62 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.584 ' SD ' HD13 ' A' ' 449' ' ' LEU . 5.1 ttp -86.36 -64.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 462' ' ' LEU . 14.4 m -139.75 132.15 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . 0.43 ' OD2' ' NH2' ' A' ' 523' ' ' ARG . 2.2 m-20 -62.02 159.67 35.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.618 0.723 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.63 4.22 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -87.85 -19.39 27.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -100.73 13.42 34.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 16.9 mm -63.16 102.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -130.9 168.22 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.04 -31.67 62.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.13 -39.25 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 453' ' ' VAL . 28.5 tp -49.14 -55.23 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -40.78 -54.24 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.28 -46.87 93.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -53.23 -53.92 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.06 -36.67 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 23.4 m -63.87 -46.88 82.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.23 -23.87 63.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.62 -46.89 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.479 ' SG ' HG11 ' A' ' 500' ' ' VAL . 99.6 m -63.83 -45.48 89.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.543 ' HA2' HG23 ' A' ' 476' ' ' VAL . . . -34.75 -39.24 0.15 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -45.65 -50.22 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 24.2 m-85 -62.42 -45.08 94.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -177.51 -178.77 47.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.543 HG23 ' HA2' ' A' ' 471' ' ' GLY . 84.5 t -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -83.66 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 478' ' ' ARG . 1.4 ptp180 -153.52 164.94 37.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 47.4 t -143.64 126.95 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.07 136.35 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.2 mt -113.9 96.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 540' ' ' LEU . 13.2 t80 -101.69 153.37 19.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -145.02 136.04 24.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.81 163.18 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -91.22 129.86 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -88.58 26.32 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 175.73 109.39 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -39.3 -33.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -54.72 143.91 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -70.32 -22.54 62.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -80.28 -16.25 55.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -58.67 132.26 53.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.71 142.28 49.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 6.6 mm -96.19 137.6 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.474 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.9 pp -123.27 167.55 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 86.3 t -128.89 123.7 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -98.71 116.03 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.61 122.8 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.83 134.69 47.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.682 HG12 ' CE1' ' A' ' 502' ' ' PHE . 98.4 t -137.14 108.35 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -104.65 140.5 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.682 ' CE1' HG12 ' A' ' 500' ' ' VAL . 7.8 m-85 -114.8 179.81 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 92.9 p -68.44 -41.54 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.721 HD11 ' HG2' ' A' ' 507' ' ' GLU . 6.7 pt -121.64 173.41 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.96 -34.37 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.2 t -49.13 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.721 ' HG2' HD11 ' A' ' 504' ' ' ILE . 5.2 mm-40 -46.21 -45.46 16.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.634 HG23 ' HB2' ' A' ' 447' ' ' MET . 81.9 m -55.25 -60.54 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -44.28 -45.27 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -59.51 -54.44 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.546 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.69 -46.36 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 516' ' ' ASN . 66.9 mt -63.77 -54.1 36.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -49.88 -27.33 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -86.92 -52.42 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.777 HD23 ' HG3' ' A' ' 518' ' ' ARG . 43.1 mt -89.17 19.94 4.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.6 t30 -79.11 -5.9 55.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -164.78 23.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.777 ' HG3' HD23 ' A' ' 515' ' ' LEU . 9.4 mmt180 -64.53 159.89 20.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -108.63 120.76 43.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 28.1 t80 -92.19 158.46 16.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.536 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.95 86.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.44 13.38 81.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . 0.43 ' NH2' ' OD2' ' A' ' 454' ' ' ASP . 66.0 mtt180 -145.84 171.4 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -117.39 140.03 50.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 520' ' ' PHE . 90.3 t -105.47 143.59 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . 0.48 HG12 HH21 ' A' ' 450' ' ' ARG . 90.5 t -137.27 107.36 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.61 144.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.499 ' O ' HG12 ' A' ' 448' ' ' VAL . 5.1 pt-20 -159.29 170.72 21.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.37 120.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -72.82 168.96 17.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -81.75 107.96 14.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 532' ' ' GLN . 0.0 OUTLIER -64.33 -45.31 88.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -41.11 -58.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -70.44 -29.88 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -78.93 44.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.66 -43.58 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -97.66 129.72 44.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 90.0 p -79.8 48.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -129.63 81.76 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 482' ' ' TYR . 4.4 mm? -63.93 -50.0 70.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 8.3 t -54.26 -50.4 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -89.83 118.98 29.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 80.6 p -39.54 -49.67 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 154.03 174.13 23.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -7.08 20.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 67.0 p -55.09 148.98 12.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 41.9 m -108.07 101.66 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 99.0 p -66.2 155.3 37.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 110.882 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 17.3 m -79.2 -56.76 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 135.08 -72.59 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.5 m 43.66 42.38 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.4 m -161.38 156.49 23.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -150.54 150.77 22.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -94.06 152.37 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 438' ' ' LEU . 3.9 mm? -99.02 98.98 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.76 149.72 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -67.45 125.5 26.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -123.74 82.41 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -109.96 50.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.97 -178.3 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.8 m -65.43 122.21 16.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.902 HG23 ' OE1' ' A' ' 501' ' ' GLU . 11.4 t -109.86 16.09 22.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.553 HG21 ' CG ' ' A' ' 535' ' ' PHE . 59.3 t -118.28 125.85 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.469 ' SD ' ' CD2' ' A' ' 449' ' ' LEU . 8.8 tmm? -119.18 132.69 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.48 137.7 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.469 ' CD2' ' SD ' ' A' ' 447' ' ' MET . 19.8 mt -112.23 130.38 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -124.86 144.05 50.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.0 t30 71.48 36.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 14.2 ttt -89.48 -66.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.679 HG21 HD21 ' A' ' 462' ' ' LEU . 3.6 m -144.23 131.6 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.09 158.52 1.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -0.94 7.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -87.98 -22.75 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.88 4.41 50.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 28.4 mm -58.53 107.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -137.22 166.73 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.71 -11.55 60.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -87.5 -35.86 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.679 HD21 HG21 ' A' ' 453' ' ' VAL . 17.5 tp -50.42 -63.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' LEU . 7.3 tt0 -34.64 -58.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -53.18 -44.72 64.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -53.88 -60.71 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.77 -32.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 48.3 m -67.34 -52.03 45.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.38 -17.1 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -82.45 -40.24 21.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.439 ' SG ' HG11 ' A' ' 500' ' ' VAL . 28.9 m -73.73 -22.75 59.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -49.22 -40.33 29.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.435 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -46.54 -47.84 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -61.41 -55.48 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.29 -165.87 29.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -72.96 109.06 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.88 120.05 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.73 -52.65 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 478' ' ' ARG . 4.2 ptm85 -167.39 165.14 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 499' ' ' PHE . 64.8 t -138.48 142.06 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 45.5 mt -132.09 132.44 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 77.5 mt -110.12 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -108.62 137.85 45.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -141.32 156.78 45.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -174.88 165.1 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.441 ' HD3' ' HB3' ' A' ' 492' ' ' ALA . 22.8 ttmt -83.87 145.71 28.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . 0.485 ' HG2' HG23 ' A' ' 495' ' ' ILE . 39.8 mm-40 -119.47 26.99 9.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -154.01 151.82 23.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -72.79 -28.84 62.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -52.29 157.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -78.28 -32.69 49.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -105.0 18.69 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.441 ' HB3' ' HD3' ' A' ' 485' ' ' LYS . . . -48.96 161.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -72.55 144.99 47.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 18.8 mm -108.46 118.32 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.799 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.2 pp -82.63 172.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . 0.643 ' N ' HD12 ' A' ' 495' ' ' ILE . 88.8 t -151.7 107.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.47 ' HG3' HD13 ' A' ' 495' ' ' ILE . 40.9 mttp -98.75 112.16 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 65.2 mt -97.3 113.0 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' A' ' 530' ' ' TYR . 47.0 m-85 -94.76 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.439 HG11 ' SG ' ' A' ' 470' ' ' CYS . 83.2 t -133.27 104.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.902 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.9 tp10 -93.44 133.02 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -110.6 176.61 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -46.81 70.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.9 pt -123.08 165.73 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -70.53 -38.0 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 23.2 t -50.22 -62.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -45.69 -43.92 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 27.2 m -62.71 -59.62 4.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -40.85 -40.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -67.16 -58.77 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -43.45 -37.52 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 529' ' ' VAL . 68.7 mt -74.27 -43.62 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -55.59 -27.6 50.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -97.22 -53.78 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.63 HD23 ' HG3' ' A' ' 518' ' ' ARG . 29.4 mt -66.2 -4.49 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 512' ' ' ILE . 0.9 OUTLIER -68.19 -8.5 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -160.82 19.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.63 ' HG3' HD23 ' A' ' 515' ' ' LEU . 13.0 mmt85 -56.85 157.84 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -109.79 120.71 43.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 522' ' ' GLY . 29.6 t80 -90.66 157.96 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.484 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.37 85.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.95 12.98 78.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -145.28 171.16 14.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.33 143.95 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 526' ' ' VAL . 16.6 t -109.04 156.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . 0.426 ' N ' HG12 ' A' ' 525' ' ' VAL . 86.4 t -143.74 105.09 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 515' ' ' LEU . . . -98.01 127.77 44.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 4.4 tt0 -124.23 163.98 20.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.837 HG22 HD13 ' A' ' 512' ' ' ILE . 25.1 t -90.05 115.08 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' A' ' 499' ' ' PHE . 25.7 t80 -75.13 162.54 28.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -80.71 126.48 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 535' ' ' PHE . 2.6 pp0? -85.33 -43.1 13.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 532' ' ' GLN . 27.1 tt0 -35.47 -39.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -90.2 -32.26 16.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.553 ' CG ' HG21 ' A' ' 446' ' ' VAL . 8.2 t80 -75.86 48.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -98.76 -35.37 10.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 539' ' ' ASP . 0.6 OUTLIER -116.53 136.79 52.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 14.5 t -40.48 -27.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 537' ' ' ASN . 0.5 OUTLIER -85.48 102.75 13.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 3.4 pp -103.36 -28.09 12.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 40.0 t -59.13 -57.28 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -107.79 140.0 41.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.9 t -39.12 156.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -111.18 -158.31 15.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 151.43 69.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 71.7 m -152.26 153.01 32.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 7.1 t -137.53 147.79 45.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 84.4 p -121.09 155.36 34.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 69.6 m -162.55 124.14 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 90.38 -144.71 17.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 2.0 t -95.85 151.0 19.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 70.4 m -56.38 127.8 32.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 61.8 164.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.542 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . 0.639 ' HG2' HD12 ' A' ' 438' ' ' LEU . 0.0 OUTLIER -116.89 -0.85 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.331 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.639 HD12 ' HG2' ' A' ' 437' ' ' LYS . 4.7 mp -107.95 -46.36 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 17.1 mt -51.69 91.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -65.6 102.74 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -44.09 133.24 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -131.5 141.22 49.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.05 153.21 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 3.6 m -65.94 116.8 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 501' ' ' GLU . 14.7 t -107.88 18.74 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.0 106.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -95.04 139.66 31.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.18 140.91 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 20.6 mt -115.93 141.01 48.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -132.64 167.85 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 29.9 t30 41.2 39.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.525 ' SD ' HD12 ' A' ' 498' ' ' ILE . 14.0 ttt -92.86 -58.2 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.438 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 4.9 m -142.99 144.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.26 159.99 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . 0.402 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.9 Cg_endo -69.79 -3.38 11.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -87.25 -38.38 16.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 458' ' ' ILE . 19.8 t70 -65.92 -30.61 71.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 457' ' ' ASP . 29.8 mm -36.61 118.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -158.99 167.69 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.61 -33.83 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.6 tp -53.35 -55.84 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 462' ' ' LEU . 15.0 tt0 -34.86 -54.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.31 -44.64 95.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.33 -47.22 72.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.03 -40.5 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 87.5 m -56.09 -42.83 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.0 -50.71 46.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -46.95 -48.29 21.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.451 ' SG ' HG11 ' A' ' 500' ' ' VAL . 59.0 m -65.99 -28.9 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -45.15 -29.91 2.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 23.2 m-85 -48.45 -62.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -162.89 -162.96 14.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.439 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -76.92 111.8 12.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.64 121.86 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -89.74 -59.89 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -137.54 151.31 48.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.86 113.71 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . 0.512 HG21 ' HG ' ' A' ' 540' ' ' LEU . 22.0 mt -128.53 141.69 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.27 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.571 ' CE1' ' O ' ' A' ' 540' ' ' LEU . 10.2 t80 -94.53 152.1 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -143.22 139.93 30.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 3.9 tp10 -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.635 ' HG3' HD13 ' A' ' 494' ' ' ILE . 21.5 tttt -83.49 139.42 32.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -88.89 24.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.86 0.72 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.458 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -52.33 -25.68 10.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.52 129.08 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -61.15 -17.39 52.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -81.04 -19.42 43.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -64.36 156.2 29.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -101.34 151.12 22.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.635 HD13 ' HG3' ' A' ' 485' ' ' LYS . 18.2 mm -93.99 98.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.764 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.8 pp -82.65 166.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 98.3 t -129.94 125.43 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -105.37 112.28 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . 0.525 HD12 ' SD ' ' A' ' 452' ' ' MET . 77.5 mt -97.97 116.28 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -96.78 118.27 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.451 HG11 ' SG ' ' A' ' 470' ' ' CYS . 75.1 t -122.21 103.26 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.502 ' HG3' HG23 ' A' ' 445' ' ' THR . 44.2 tt0 -94.57 144.83 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -115.77 166.78 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 33.4 p -56.52 -43.86 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 5.5 pt -121.22 164.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.67 -46.78 52.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 11.0 t -44.18 -54.53 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -43.39 70.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 96.4 m -56.1 -54.98 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -51.11 -46.47 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -54.17 -58.24 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.81 -42.07 25.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.06 -51.39 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -55.49 -27.29 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.73 -49.25 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.493 HD23 ' HG3' ' A' ' 518' ' ' ARG . 11.0 mt -91.77 22.95 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 1.5 t-20 -86.43 -1.66 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -169.25 24.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.493 ' HG3' HD23 ' A' ' 515' ' ' LEU . 11.7 mmt180 -65.83 158.58 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -105.66 120.85 42.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.581 ' HB2' HG23 ' A' ' 525' ' ' VAL . 28.2 t80 -91.73 158.26 16.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.425 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -51.72 89.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.27 11.3 85.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -143.93 171.35 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -116.57 135.36 53.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 520' ' ' PHE . 85.3 t -99.12 150.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 19.7 t -140.01 117.84 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 528' ' ' GLU . . . -100.96 160.43 14.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 527' ' ' ALA . 30.4 mt-10 -164.49 171.54 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 529' ' ' VAL . 8.0 p -106.81 116.73 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -84.74 170.05 13.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.8 102.41 9.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.434 ' C ' ' OE1' ' A' ' 532' ' ' GLN . 2.5 pp0? -68.34 -21.8 64.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.1 -42.27 98.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -88.07 -19.76 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -57.62 -27.1 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -45.06 -43.66 9.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -61.3 113.33 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 19.3 t -81.98 42.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.8 86.38 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.571 ' O ' ' CE1' ' A' ' 482' ' ' TYR . 4.3 mm? -75.56 -27.49 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 52.9 p -67.01 -175.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -75.72 53.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.6 m -154.9 167.33 30.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 151.7 -158.09 27.57 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 108.95 2.2 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.67 2.246 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 58.8 m -75.65 150.82 37.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 7.6 t -144.67 115.75 7.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 30.5 t -157.98 142.24 16.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 66.9 p -160.46 149.97 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.809 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 152.5 165.11 12.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 38.3 m -88.17 -55.86 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 82.5 p -61.88 161.89 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -151.09 -41.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -133.89 110.42 9.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.741 ' N ' HD13 ' A' ' 438' ' ' LEU . 0.0 OUTLIER -105.64 26.76 9.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 61.4 mt -47.0 115.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -110.98 148.08 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -49.65 94.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -127.01 -178.38 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 505' ' ' ALA . 63.3 mm-40 -61.17 -178.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 97.0 p -61.88 110.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.759 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.4 t -111.37 13.14 21.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.864 HG21 ' CD2' ' A' ' 535' ' ' PHE . 42.1 t -110.95 129.46 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 33.4 ttp -121.08 139.26 53.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 528' ' ' GLU . 7.8 p -114.17 128.91 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.07 135.47 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 451' ' ' ASN . 76.2 mtp180 -130.16 175.82 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 450' ' ' ARG . 1.2 t30 37.38 43.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 5.0 ttt -99.78 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.439 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.6 m -140.4 133.34 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.29 159.31 4.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -1.9 9.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -89.93 -35.03 15.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.33 11.59 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.41 108.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -133.55 153.36 51.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 460' ' ' ASP . 0.0 OUTLIER -46.45 -31.89 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -43.74 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 18.4 tp -43.4 -61.01 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -39.18 -52.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.75 89.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -51.35 -47.66 62.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.17 -45.34 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 74.6 m -55.75 -44.57 77.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.93 -51.46 54.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -56.19 -31.42 63.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.517 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 93.7 m -76.88 -27.96 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -54.18 -35.15 54.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.43 -47.07 69.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 470' ' ' CYS . 24.6 m-85 -58.23 -54.58 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -169.18 -134.51 1.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -105.08 111.39 24.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.39 125.87 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -88.83 -52.75 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -157.14 171.22 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.0 t -146.0 141.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 14.6 mt -121.97 138.67 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 90.4 mt -113.64 92.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -93.15 122.58 35.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.39 106.89 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 485' ' ' LYS . 5.2 tp10 -153.91 158.67 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.607 ' HE3' HD11 ' A' ' 494' ' ' ILE . 17.7 ttmt -67.89 135.36 52.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -95.47 26.93 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 174.69 119.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -44.77 -30.36 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.35 121.9 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -50.64 -30.59 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.78 -30.18 71.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -55.04 126.64 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 3.5 tp10 -80.45 154.25 27.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.607 HD11 ' HE3' ' A' ' 485' ' ' LYS . 22.2 mm -88.5 125.31 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.74 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -101.36 174.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 96.5 t -148.65 116.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -110.03 114.11 27.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 61.6 mt -97.07 112.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.632 ' CZ ' HD11 ' A' ' 540' ' ' LEU . 44.5 m-85 -96.79 130.73 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 97.4 t -124.47 108.22 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.759 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.3 tp10 -95.47 134.66 38.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -111.85 -178.7 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 21.2 t -73.42 -49.52 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.459 HD11 ' HG2' ' A' ' 507' ' ' GLU . 23.3 pt -113.96 172.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . 0.43 ' CB ' ' HB2' ' A' ' 443' ' ' GLU . . . -78.49 -42.5 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.5 t -45.3 -61.22 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 504' ' ' ILE . 3.3 mm-40 -44.05 -49.29 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 23.7 m -56.19 -53.18 60.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -47.12 -43.24 20.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -61.62 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -43.3 -35.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 516' ' ' ASN . 73.9 mt -75.39 -54.59 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -45.61 -28.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -93.62 -61.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.61 -10.41 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 512' ' ' ILE . 25.7 t30 -72.93 -0.01 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.78 25.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -70.03 153.03 43.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -102.91 115.04 29.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.596 ' HB2' HG23 ' A' ' 525' ' ' VAL . 15.8 t80 -85.38 157.86 20.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.91 85.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 80.06 21.82 64.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -155.36 171.12 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -111.86 141.62 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.596 HG23 ' HB2' ' A' ' 520' ' ' PHE . 93.5 t -107.77 155.1 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . 0.459 ' N ' HG12 ' A' ' 525' ' ' VAL . 63.6 t -143.18 125.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -117.42 125.26 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 21.3 tt0 -110.07 167.09 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 529' ' ' VAL . 12.0 p -102.74 112.02 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -83.04 101.91 11.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.44 162.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 535' ' ' PHE . 10.2 tm0? -71.12 -58.58 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 532' ' ' GLN . 4.7 pt-20 -34.39 -60.26 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -59.13 -36.06 74.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.864 ' CD2' HG21 ' A' ' 446' ' ' VAL . 11.3 t80 -76.59 3.06 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.461 ' C ' ' OD1' ' A' ' 536' ' ' ASP . 16.4 t0 -41.9 -49.81 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.22 127.52 37.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 54.3 p -50.65 -19.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.22 143.93 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.632 HD11 ' CZ ' ' A' ' 499' ' ' PHE . 0.1 OUTLIER -119.37 32.83 5.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 14.2 m -101.81 178.62 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.5 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 1.2 t -82.72 170.76 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 128.58 -168.67 20.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 157.51 60.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 2.6 m -141.02 152.24 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 9.3 t -171.58 156.23 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.49 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 31.0 m -82.83 90.84 6.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.804 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 4.4 m -73.66 169.38 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 56.51 161.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 65.8 m -152.43 134.82 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.88 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 61.8 m -126.72 161.72 27.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 65.4 141.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -65.61 89.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 438' ' ' LEU . 0.7 OUTLIER -69.66 -13.29 62.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 6.5 mt -90.33 93.8 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.415 ' CD ' ' H ' ' A' ' 440' ' ' ARG . 0.0 OUTLIER -40.9 155.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -80.58 123.0 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -95.84 154.94 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . 0.625 ' CG ' ' HB2' ' A' ' 505' ' ' ALA . 1.2 pm0 -99.84 143.19 30.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 88.4 p -79.36 108.89 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.786 HG23 ' OE1' ' A' ' 501' ' ' GLU . 6.0 t -120.7 11.69 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.438 HG22 ' CD ' ' A' ' 501' ' ' GLU . 95.0 t -111.26 106.94 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.419 ' HG2' ' N ' ' A' ' 448' ' ' VAL . 36.1 ttp -101.04 154.12 18.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 447' ' ' MET . 4.2 p -125.85 135.0 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 25.1 mt -110.65 136.89 49.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -129.36 146.89 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 64.24 45.39 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.403 ' O ' HG13 ' A' ' 453' ' ' VAL . 13.2 ttt -88.39 -53.22 4.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.615 ' CG1' ' CZ ' ' A' ' 520' ' ' PHE . 2.4 m -155.0 147.45 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . 0.467 ' CG ' ' HD2' ' A' ' 455' ' ' PRO . 2.0 t70 -42.07 143.19 1.04 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 454' ' ' ASP . 53.4 Cg_endo -69.75 5.35 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -105.86 -20.65 13.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.76 -11.28 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 35.5 mm -53.01 117.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -140.83 161.95 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -41.86 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.65 -36.23 73.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 463' ' ' GLU . 22.0 tp -47.82 -58.64 4.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 462' ' ' LEU . 20.4 tt0 -37.42 -51.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.44 -46.42 94.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.45 -40.73 68.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.41 -43.46 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 99.4 m -54.63 -43.11 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.98 -40.38 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.43 -33.95 73.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.602 ' SG ' HG11 ' A' ' 500' ' ' VAL . 68.6 m -87.3 -28.16 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.51 -39.64 5.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.07 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 470' ' ' CYS . 12.0 m-85 -38.8 -53.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -172.94 -170.65 36.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.36 114.4 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 470' ' ' CYS . 67.6 t -80.59 126.11 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.76 -48.91 17.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -172.46 173.69 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 57.8 t -146.24 124.82 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 540' ' ' LEU . 44.0 mt -113.36 122.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 85.8 mt -97.48 110.86 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -119.59 134.78 55.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -143.57 130.75 20.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -160.46 136.71 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.823 ' HD3' ' HB3' ' A' ' 492' ' ' ALA . 5.4 ttmm -51.71 156.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -113.57 22.58 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -168.08 114.51 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -42.0 -30.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -49.35 162.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.41 -15.48 27.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.09 -19.75 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.823 ' HB3' ' HD3' ' A' ' 485' ' ' LYS . . . -53.38 139.8 29.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 494' ' ' ILE . 4.2 tp10 -80.01 157.69 26.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.544 HD13 ' HG3' ' A' ' 485' ' ' LYS . 24.7 mm -95.56 128.18 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.715 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -94.86 166.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . 0.46 ' N ' HD12 ' A' ' 495' ' ' ILE . 91.5 t -140.24 113.47 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.413 ' HG3' HD13 ' A' ' 495' ' ' ILE . 43.8 mttp -109.86 116.93 32.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 69.1 mt -103.77 127.3 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.64 126.28 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.793 HG12 ' CE1' ' A' ' 502' ' ' PHE . 45.8 t -121.82 101.7 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.786 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.7 tp10 -96.09 129.32 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.793 ' CE1' HG12 ' A' ' 500' ' ' VAL . 48.2 m-85 -109.62 -177.68 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -41.28 29.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 21.8 pt -128.26 159.98 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . 0.625 ' HB2' ' CG ' ' A' ' 443' ' ' GLU . . . -65.88 -38.5 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 1.4 t -47.28 -64.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -44.29 -46.18 9.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.603 HG22 HD11 ' A' ' 512' ' ' ILE . 19.5 m -61.72 -51.55 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -45.69 -47.88 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.75 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.551 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -39.98 -36.63 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 508' ' ' THR . 62.8 mt -75.33 -57.01 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -42.39 -29.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.43 -58.56 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 511' ' ' ALA . 14.6 mt -57.7 -11.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -60.35 -11.32 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -156.88 16.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.428 ' CG ' ' HA ' ' A' ' 515' ' ' LEU . 14.0 mmt180 -55.69 153.31 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.86 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -108.28 117.63 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.615 ' CZ ' ' CG1' ' A' ' 453' ' ' VAL . 42.3 t80 -87.7 158.13 18.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.06 84.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 81.01 20.38 65.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -151.51 166.82 29.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -106.4 146.43 30.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . . . . . . . . . 43.1 t -115.3 142.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 42.9 t -135.77 118.28 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . 0.414 ' C ' ' HG2' ' A' ' 528' ' ' GLU . . . -105.7 140.48 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 448' ' ' VAL . 5.4 mm-40 -145.45 158.73 43.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 39.2 t -84.78 125.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -98.37 133.95 42.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -51.53 153.82 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 535' ' ' PHE . 46.9 mt-30 -101.15 -50.15 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -39.68 -51.37 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -73.0 -24.12 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 532' ' ' GLN . 54.3 t80 -82.86 36.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -84.75 -49.88 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -67.98 118.64 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 73.5 m -84.23 42.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -164.02 105.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.431 HD12 HG21 ' A' ' 480' ' ' ILE . 13.4 mt -88.2 43.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 12.0 t -126.83 170.52 12.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -43.93 -58.13 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.2 t -81.57 120.19 24.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -132.81 -177.04 14.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.68 5.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 7.5 t -54.1 -56.47 17.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 62.8 p -155.2 137.67 15.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.796 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 13.3 m -155.32 175.8 13.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 25.6 p -108.9 -58.02 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 53.83 99.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.444 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 34.6 p -162.15 156.57 22.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 56.9 m -141.14 138.71 33.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 71.58 93.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -82.71 91.18 6.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.19 -61.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 31.2 mt -89.03 170.91 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -101.25 110.66 22.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -96.94 167.1 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -92.97 112.84 24.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -40.38 154.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 13.4 p -53.74 104.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.5 t -98.55 13.07 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.92 115.69 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -105.54 151.77 23.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 528' ' ' GLU . 7.5 p -129.6 133.64 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 43.7 mt -103.43 140.37 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -130.93 158.11 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 1.1 t30 51.07 31.2 6.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 11.3 ttt -76.2 -69.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.58 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 16.2 m -142.03 131.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -51.04 158.55 1.18 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . 0.408 ' C ' HG12 ' A' ' 458' ' ' ILE . 53.7 Cg_endo -69.76 2.36 3.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -87.68 -32.18 19.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.82 17.36 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.408 HG12 ' C ' ' A' ' 455' ' ' PRO . 20.4 mm -70.25 114.49 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.415 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 58.7 m-20 -143.34 158.92 43.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.91 -34.71 68.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.415 ' OD1' ' CB ' ' A' ' 459' ' ' ASP . 5.8 p-10 -63.26 -41.66 99.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 463' ' ' GLU . 32.1 tp -39.44 -59.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' LEU . 27.1 tt0 -36.26 -48.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.52 95.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 462' ' ' LEU . 27.7 mt-10 -57.68 -37.54 73.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.33 -39.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 80.9 m -64.56 -49.54 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.41 -48.69 74.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -54.74 -44.1 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.524 ' SG ' HG11 ' A' ' 500' ' ' VAL . 74.0 m -72.04 -31.55 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -50.67 -42.43 44.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -43.85 -56.53 3.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 28.1 m-85 -50.79 -55.52 16.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -165.6 -160.91 13.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -79.18 112.82 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.32 139.33 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.63 -51.98 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -147.13 151.69 37.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.93 116.32 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 21.1 mt -134.76 139.67 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 50.7 mt -122.0 108.24 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 540' ' ' LEU . 9.1 t80 -110.55 149.52 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -144.62 147.06 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -161.73 164.78 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.462 ' HD2' ' HB3' ' A' ' 492' ' ' ALA . 5.3 ttpm? -87.49 141.76 28.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -114.75 24.51 11.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -150.85 150.62 22.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.12 -31.64 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.616 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 10.1 mm-40 -44.29 128.65 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.88 -19.76 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.0 24.77 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 489' ' ' GLU . . . -53.17 172.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.94 147.23 48.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 15.7 mm -115.91 106.74 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.678 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.3 pp -85.02 176.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 92.5 t -146.69 112.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -95.96 117.02 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.83 117.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -94.49 139.12 31.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.524 HG11 ' SG ' ' A' ' 470' ' ' CYS . 70.4 t -142.34 106.14 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -95.69 138.38 33.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.84 165.76 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 60.4 p -56.77 -43.66 81.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 14.4 pt -126.62 171.44 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -72.99 -41.78 63.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 9.9 t -47.78 -66.23 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -42.59 -42.98 3.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 8.9 m -57.31 -68.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -39.74 -39.88 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -61.44 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.538 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -45.39 -41.9 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.76 -62.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -45.58 -29.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.97 -49.71 9.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 17.7 mt -94.13 28.89 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.77 -4.33 57.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.99 23.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -65.79 157.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -106.26 119.91 40.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.58 ' CZ ' HG12 ' A' ' 453' ' ' VAL . 33.4 t80 -89.55 157.96 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.93 83.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 84.69 15.98 66.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -149.56 171.19 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -118.26 135.26 54.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 520' ' ' PHE . 90.9 t -100.73 148.81 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 22.2 t -141.02 108.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -96.28 147.35 23.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.41 ' HG3' ' CG1' ' A' ' 448' ' ' VAL . 19.3 pt-20 -162.81 177.26 9.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 64.8 t -94.72 132.13 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -93.97 169.32 10.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -69.54 99.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -69.67 -31.41 69.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -53.29 -51.68 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -80.77 -38.3 28.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 536' ' ' ASP . 71.3 t80 -41.26 -38.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 535' ' ' PHE . 4.6 t70 -37.85 -41.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . 0.437 ' CG ' ' HD2' ' A' ' 545' ' ' PRO . 12.8 t30 -73.14 101.91 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 32.0 t -79.35 45.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.78 46.49 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.465 ' HB3' ' CE1' ' A' ' 482' ' ' TYR . 4.5 mp -41.31 -55.58 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 50.3 m -38.7 -51.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -88.85 163.69 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.4 t -55.43 -46.86 76.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 111.0 161.77 17.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 537' ' ' ASN . 53.8 Cg_endo -69.81 -175.67 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 3.4 t -108.69 161.05 15.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 74.9 m -142.99 144.56 32.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 64.2 m -114.78 43.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 28.9 p -107.57 140.04 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.65 143.76 6.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 52.8 p -149.9 117.2 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.1 m -89.43 171.53 9.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 170.98 143.5 4.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -56.39 137.55 52.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.354 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.17 128.45 40.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 5.1 tp -77.66 -32.26 53.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.08 168.39 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -93.26 117.17 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 443' ' ' GLU . 5.3 tt0 -78.8 162.42 26.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 442' ' ' GLN . 6.9 pt-20 -34.97 134.66 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.1 p -97.26 85.87 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.4 t -92.68 16.14 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 69.0 t -103.79 112.6 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.609 ' HB2' HG23 ' A' ' 508' ' ' THR . 38.4 ttp -99.34 159.88 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.729 HG13 ' OE2' ' A' ' 528' ' ' GLU . 2.5 p -137.62 129.74 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 45.1 mt -108.55 127.69 54.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . 0.444 ' NE ' HG11 ' A' ' 526' ' ' VAL . 1.5 ptm180 -132.0 146.11 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 524' ' ' LYS . 48.1 t30 74.0 24.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 6.1 ttt -89.27 -59.44 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.419 HG21 HD21 ' A' ' 462' ' ' LEU . 11.0 m -139.46 157.31 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -82.99 161.39 58.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . 0.469 ' HA ' ' CG1' ' A' ' 458' ' ' ILE . 53.3 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -90.9 -38.73 12.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -77.7 -20.23 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 455' ' ' PRO . 44.5 mm -48.16 124.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -163.96 166.97 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.9 -23.33 18.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.78 -43.45 62.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 453' ' ' VAL . 25.1 tp -58.74 -54.63 44.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -37.72 -49.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -67.48 -46.92 65.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.79 -46.44 67.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.31 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 31.2 m -52.91 -50.39 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -68.0 -51.83 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.39 -40.01 16.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.414 ' HA ' ' CE2' ' A' ' 473' ' ' PHE . 80.5 m -74.87 -37.58 62.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -44.52 -26.72 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -60.29 -54.53 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.507 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 38.5 m-85 -49.68 -43.98 47.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -179.34 -137.7 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -97.6 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 96.3 t -78.66 117.53 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -75.92 -52.97 9.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.864 ' CZ ' HD11 ' A' ' 480' ' ' ILE . 9.3 ptm180 -164.02 158.69 19.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 77.7 t -126.03 147.53 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . 0.864 HD11 ' CZ ' ' A' ' 478' ' ' ARG . 70.2 mt -144.23 137.3 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 47.7 mt -117.33 106.52 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -108.62 139.45 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -146.31 123.62 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -134.51 153.14 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -66.34 126.45 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -106.06 27.92 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . 0.683 ' HA3' ' HB1' ' A' ' 492' ' ' ALA . . . -165.08 135.53 3.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.7 -39.16 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -38.47 137.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -45.89 -43.52 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -110.68 35.37 3.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.683 ' HB1' ' HA3' ' A' ' 487' ' ' GLY . . . -52.24 169.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.63 153.07 35.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 44.9 mm -121.32 139.08 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.748 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.0 pp -106.32 176.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 93.0 t -152.33 106.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -101.74 110.08 21.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.37 109.3 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.631 ' CE1' HD12 ' A' ' 540' ' ' LEU . 72.3 m-85 -88.22 128.96 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.487 HG12 ' CE1' ' A' ' 502' ' ' PHE . 68.8 t -125.61 100.2 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.087 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.2 tp10 -89.13 126.86 35.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.487 ' CE1' HG12 ' A' ' 500' ' ' VAL . 42.7 m-85 -105.0 -178.78 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 15.4 t -76.64 -39.54 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 12.1 pt -128.23 148.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.51 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 28.1 t -51.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -44.75 -44.12 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 447' ' ' MET . 38.5 m -57.62 -58.55 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -44.66 -44.1 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.53 -61.54 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -47.07 -34.4 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 516' ' ' ASN . 93.2 mt -70.55 -57.89 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.9 -27.27 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.78 -53.53 5.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 527' ' ' ALA . 16.5 mt -91.13 24.23 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' A' ' 516' ' ' ASN . 2.4 t-20 -85.04 0.13 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -178.75 39.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 518' ' ' ARG . 3.2 mmp_? -77.92 166.65 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -110.07 103.4 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.489 ' HB2' HG22 ' A' ' 525' ' ' VAL . 32.0 t80 -79.08 157.98 27.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -48.89 96.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.064 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 66.11 29.74 75.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.527 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 27.9 mtp180 -162.01 164.67 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . 0.463 ' O ' ' ND2' ' A' ' 451' ' ' ASN . 11.7 tptm -102.85 143.66 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.489 HG22 ' HB2' ' A' ' 520' ' ' PHE . 21.9 t -102.05 144.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . 0.444 HG11 ' NE ' ' A' ' 450' ' ' ARG . 61.9 t -134.8 119.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 515' ' ' LEU . . . -124.86 138.12 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.729 ' OE2' HG13 ' A' ' 448' ' ' VAL . 2.5 pm0 -158.54 160.01 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 529' ' ' VAL . 10.8 p -86.75 119.91 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 534' ' ' ARG . 1.6 t80 -70.09 174.7 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -99.28 123.37 43.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 533' ' ' GLU . 12.8 tt0 -52.34 -52.18 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 532' ' ' GLN . 27.8 tt0 -31.9 -76.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 530' ' ' TYR . 1.7 ptp180 -48.94 -37.1 18.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 532' ' ' GLN . 34.7 t80 -75.64 48.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.62 -39.57 9.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -114.73 -179.41 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 4.8 m -82.22 43.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -131.77 93.16 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.631 HD12 ' CE1' ' A' ' 499' ' ' PHE . 4.0 mm? -81.21 43.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.0 t -134.0 -177.51 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -85.24 47.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 84.5 p -169.74 171.54 7.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 170.41 -178.08 43.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 84.24 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.65 2.234 . . . . 0.0 112.386 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 1.2 t 69.61 30.93 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 96.8 p -51.28 104.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 3.3 m -109.49 92.75 4.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 36.4 p -42.2 154.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 125.76 166.75 12.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 7.0 m -55.97 -46.89 78.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 36.7 t -56.08 103.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 111.03 55.88 0.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.442 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -134.07 172.35 12.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 3.8 mp -44.8 128.98 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 10.0 tp -82.59 40.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 441' ' ' LYS . 0.0 OUTLIER -74.15 133.64 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 440' ' ' ARG . 47.3 mtmt -43.92 106.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -79.77 114.04 18.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -98.37 108.34 21.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 65.8 m -72.04 112.4 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -103.2 13.73 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 59.1 t -108.07 116.69 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.597 ' CE ' HD21 ' A' ' 449' ' ' LEU . 31.2 ttp -106.17 139.84 40.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.524 HG21 ' HE2' ' A' ' 497' ' ' LYS . 11.6 p -109.02 134.1 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.597 HD21 ' CE ' ' A' ' 447' ' ' MET . 15.3 mt -112.96 138.05 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . 0.513 HH21 HG12 ' A' ' 526' ' ' VAL . 53.1 mtm180 -132.95 173.49 11.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 30.4 t30 37.36 45.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 21.5 ttt -102.46 -64.16 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.592 HG21 HD21 ' A' ' 462' ' ' LEU . 3.9 m -135.95 127.8 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -50.55 159.8 0.84 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . 0.417 ' HA ' HG12 ' A' ' 458' ' ' ILE . 53.8 Cg_endo -69.78 -3.74 12.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -86.72 -31.17 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.78 13.57 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 455' ' ' PRO . 44.5 mm -75.34 101.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -139.1 164.43 29.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.7 -38.49 78.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.29 -41.72 93.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.592 HD21 HG21 ' A' ' 453' ' ' VAL . 28.5 tp -52.37 -51.89 56.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -39.01 -52.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.09 -44.15 96.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.03 -51.16 44.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.0 -40.98 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 93.5 m -58.22 -45.18 88.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.34 -30.52 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.42 -48.5 69.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLY . 71.0 m -64.81 -34.69 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -36.26 -41.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.92 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -44.89 -55.14 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 507' ' ' GLU . . . -169.7 -169.91 33.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -70.95 114.8 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.99 125.67 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -90.29 -60.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -142.33 150.17 40.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.96 112.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 19.0 mt -127.31 130.3 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 45.8 mt -106.33 103.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.466 ' O ' HG13 ' A' ' 496' ' ' VAL . 23.1 t80 -104.33 150.34 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -145.56 162.27 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . 0.459 ' O ' ' NE2' ' A' ' 486' ' ' GLN . 15.0 tp10 -167.87 162.81 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.408 ' HE3' ' C ' ' A' ' 488' ' ' GLU . 9.8 ttpt -98.9 130.1 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 484' ' ' GLU . 2.9 mp0 -89.05 23.83 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 489' ' ' GLU . . . 174.78 109.99 0.25 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 487' ' ' GLY . 36.1 tt0 -37.31 -28.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 487' ' ' GLY . 26.9 mt-10 -63.64 138.02 58.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.02 -32.42 72.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -68.31 -27.35 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -46.91 147.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.18 142.7 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 485' ' ' LYS . 32.2 mm -112.47 101.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.726 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.9 pp -94.69 155.71 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 482' ' ' TYR . 54.7 t -123.91 140.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.524 ' HE2' HG21 ' A' ' 448' ' ' VAL . 7.6 mtpm? -116.22 106.23 13.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 50.5 mt -90.72 123.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -96.51 123.17 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.618 HG12 ' CE1' ' A' ' 502' ' ' PHE . 55.2 t -122.63 101.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -98.87 132.95 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.618 ' CE1' HG12 ' A' ' 500' ' ' VAL . 56.3 m-85 -108.76 165.97 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.4 m -62.76 -24.55 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.45 HD12 ' HB2' ' A' ' 506' ' ' SER . 17.6 pt -144.21 149.98 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.04 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . 0.45 ' HB2' HD12 ' A' ' 504' ' ' ILE . 26.2 m -45.54 -62.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.428 ' CD ' ' HA3' ' A' ' 474' ' ' GLY . 96.3 mt-10 -48.65 -36.1 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 15.0 m -66.22 -58.08 6.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -45.1 -46.17 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.67 -66.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 515' ' ' LEU . . . -39.9 -30.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 514' ' ' ALA . 81.3 mt -80.93 -60.39 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -43.31 -23.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 512' ' ' ILE . . . -99.74 -57.97 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.937 HD23 ' HG3' ' A' ' 518' ' ' ARG . 29.6 mt -62.51 -7.97 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -62.26 -9.99 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -161.91 40.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.937 ' HG3' HD23 ' A' ' 515' ' ' LEU . 9.1 mmm180 -73.18 162.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -113.2 114.07 26.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.576 ' HB2' HG23 ' A' ' 525' ' ' VAL . 36.5 t80 -86.62 158.32 19.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -52.23 84.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 82.84 14.2 75.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -147.4 171.46 15.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -113.49 141.57 46.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 520' ' ' PHE . 76.2 t -110.01 151.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . 0.513 HG12 HH21 ' A' ' 450' ' ' ARG . 83.7 t -134.82 119.84 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -115.68 144.76 43.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.48 ' HG3' HG12 ' A' ' 448' ' ' VAL . 7.7 pt-20 -159.08 161.83 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.85 151.57 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 531' ' ' ASP . 83.7 t80 -119.86 166.7 12.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.511 ' N ' ' CG ' ' A' ' 530' ' ' TYR . 4.5 m-20 -73.5 80.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 533' ' ' GLU . 14.4 tt0 -44.37 -58.9 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 532' ' ' GLN . 39.2 tt0 -35.93 -44.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 536' ' ' ASP . 39.8 mmm-85 -63.21 -52.51 61.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 534' ' ' ARG . 31.1 t80 -36.14 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 534' ' ' ARG . 7.7 t0 -49.06 -62.26 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 534' ' ' ARG . 1.3 p30 -47.43 -51.59 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 8.3 t 67.85 42.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.38 78.13 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 482' ' ' TYR . 4.8 mt -86.89 -42.53 13.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 32.9 p -79.79 -45.66 18.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -83.53 165.55 19.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 40.5 m -59.44 -46.43 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 125.7 -159.15 20.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 104.65 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 67.2 m -128.94 156.03 44.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 3.7 m -93.62 -60.95 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 28.0 p -127.39 165.87 18.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 4.7 t -157.06 133.64 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -163.96 -81.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 60.9 p -60.04 -32.19 70.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 28.1 p -95.74 129.55 42.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -150.78 157.86 27.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.6 115.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.47 -55.03 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.33 115.04 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -41.12 139.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -77.9 129.33 35.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -124.05 90.26 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 505' ' ' ALA . 0.1 OUTLIER -102.28 -177.98 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 48.0 t -78.75 95.42 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.4 t -88.89 9.26 25.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 501' ' ' GLU . 13.0 t -108.97 107.48 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.434 ' CG ' ' N ' ' A' ' 448' ' ' VAL . 26.0 ttp -98.52 159.79 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 528' ' ' GLU . 10.5 p -133.95 139.57 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 69.0 mt -115.51 127.66 55.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -120.29 134.38 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 17.7 t30 71.88 46.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.499 ' HG2' HG13 ' A' ' 453' ' ' VAL . 14.0 ttt -95.11 -61.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.749 HG21 HD21 ' A' ' 462' ' ' LEU . 25.4 m -135.18 137.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.6 158.09 61.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -17.27 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -96.76 13.17 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 43.0 mm -60.13 102.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -138.96 162.89 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -74.17 -37.23 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.749 HD21 HG21 ' A' ' 453' ' ' VAL . 33.7 tp -53.08 -52.97 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.5 -57.56 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -57.96 -41.61 94.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.55 -50.31 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.19 -41.11 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 70.9 m -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -70.77 -25.66 63.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -69.95 -55.35 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.539 ' SG ' HG11 ' A' ' 500' ' ' VAL . 99.2 m -55.45 -33.92 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -43.51 -37.28 3.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -47.0 -44.97 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 32.2 m-85 -66.43 -47.78 72.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -175.97 -154.26 11.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -81.42 109.41 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.48 132.38 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 6.5 t-20 -85.52 -58.82 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -163.61 165.6 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 79.4 t -137.16 141.38 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 46.9 mt -134.2 133.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 56.2 mt -106.07 105.75 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -108.4 130.31 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -144.4 140.44 29.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -162.39 157.02 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.405 ' O ' ' NE2' ' A' ' 486' ' ' GLN . 5.9 ttpm? -83.69 139.86 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 485' ' ' LYS . 45.8 mm-40 -117.83 16.01 14.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . 0.601 ' HA3' ' HB1' ' A' ' 492' ' ' ALA . . . -133.95 130.58 5.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -56.08 -32.85 64.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 27.9 mm-40 -50.76 134.51 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.46 -29.45 35.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.78 25.82 10.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.601 ' HB1' ' HA3' ' A' ' 487' ' ' GLY . . . -51.03 -176.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.412 ' O ' HD13 ' A' ' 494' ' ' ILE . 9.3 tp10 -75.76 155.58 35.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 493' ' ' GLU . 16.1 mm -131.48 107.78 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.731 ' C ' HD12 ' A' ' 495' ' ' ILE . 1.5 pp -87.85 163.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -139.46 105.92 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -95.67 116.43 28.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.54 142.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -115.39 132.6 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.587 HG12 ' CE1' ' A' ' 502' ' ' PHE . 54.7 t -134.3 100.57 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.543 ' HG3' HG22 ' A' ' 446' ' ' VAL . 12.0 tt0 -100.77 136.18 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.587 ' CE1' HG12 ' A' ' 500' ' ' VAL . 41.7 m-85 -111.46 173.02 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 27.0 t -60.48 -52.99 62.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.44 HD11 ' HG2' ' A' ' 507' ' ' GLU . 22.2 pt -112.63 169.54 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 443' ' ' GLU . . . -76.33 -38.8 55.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -47.78 -60.76 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.44 ' HG2' HD11 ' A' ' 504' ' ' ILE . 14.5 mm-40 -47.66 -44.86 27.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 94.7 m -54.85 -60.6 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -45.67 -46.09 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -55.51 -63.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.539 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.27 -45.96 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.401 ' CG1' ' SD ' ' A' ' 447' ' ' MET . 95.7 mt -58.2 -61.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -45.93 -29.49 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -80.97 -45.84 16.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 518' ' ' ARG . 6.5 mt -95.84 23.69 6.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -83.06 -3.75 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -167.49 22.56 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.505 ' HG3' HD23 ' A' ' 515' ' ' LEU . 6.9 mmp_? -64.73 159.87 21.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 524' ' ' LYS . 36.7 m95 -116.74 102.76 9.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 522' ' ' GLY . 20.9 t80 -80.13 160.25 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.82 89.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 68.01 28.45 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 520' ' ' PHE . 35.8 mmt180 -154.22 120.18 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 519' ' ' TRP . 19.0 tttm -77.84 116.92 18.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 28.3 t -79.8 148.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 39.7 t -142.98 104.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -95.84 138.61 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.505 ' O ' HG12 ' A' ' 448' ' ' VAL . 8.7 pt-20 -155.31 174.55 15.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.29 145.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.532 ' CG ' ' N ' ' A' ' 531' ' ' ASP . 66.3 t80 -121.16 168.76 11.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 530' ' ' TYR . 12.9 m-20 -33.9 95.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 530' ' ' TYR . 1.0 OUTLIER -86.2 -8.11 58.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -111.76 -31.33 7.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.408 ' HD2' ' CG ' ' A' ' 531' ' ' ASP . 8.0 mtt-85 -82.75 -24.57 33.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -82.21 39.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -85.39 -39.68 17.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 538' ' ' SER . 9.3 m120 -115.08 158.6 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 537' ' ' ASN . 71.7 m -34.77 -51.67 0.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -52.9 121.89 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 540' ' ' LEU . 3.3 pp -126.09 -28.82 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 96.8 p -77.55 -41.96 37.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -83.86 33.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 53.7 m 48.44 42.35 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 80.01 -159.07 43.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 99.2 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 42.3 t -81.9 -55.57 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 81.3 p -129.13 121.5 27.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 93.0 p -126.3 154.36 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 8.5 t -152.18 151.76 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.04 104.3 2.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 5.2 t -69.03 134.0 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 99.1 p -155.2 116.2 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -100.83 175.35 26.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 109.68 21.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.356 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 10.7 mp -99.75 172.1 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 7.9 mp -103.91 37.6 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -117.74 128.75 55.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -107.73 127.87 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -83.84 142.18 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -40.96 135.63 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 49.0 p -104.28 124.91 50.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.8 t -127.17 11.51 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 77.5 t -115.75 102.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 32.5 ttp -93.12 136.03 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 448' ' ' VAL . 12.5 p -109.36 115.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.45 138.16 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 451' ' ' ASN . 0.6 OUTLIER -120.82 167.71 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 450' ' ' ARG . 11.2 t-20 34.28 39.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 ttt -83.66 -66.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.648 HG21 HD21 ' A' ' 462' ' ' LEU . 27.3 m -135.22 128.21 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . 0.491 ' OD1' ' CZ ' ' A' ' 523' ' ' ARG . 1.4 m-20 -56.37 159.43 6.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.73 3.28 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.83 -20.82 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.31 11.63 23.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 17.0 mm -60.89 99.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -137.97 178.64 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -81.63 -40.02 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.89 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.648 HD21 HG21 ' A' ' 453' ' ' VAL . 16.4 tp -47.46 -57.28 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 462' ' ' LEU . 19.3 tt0 -38.03 -53.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.11 98.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -53.45 -50.24 65.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -40.04 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 83.2 m -59.63 -59.34 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -58.26 -45.09 88.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.77 -41.05 61.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.404 ' HB2' HG21 ' A' ' 476' ' ' VAL . 99.1 m -68.64 -35.76 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -38.11 -41.71 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -63.16 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 14.7 m-85 -48.86 -39.93 27.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 166.41 -175.13 41.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -55.83 120.64 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.404 HG21 ' HB2' ' A' ' 470' ' ' CYS . 59.2 t -88.01 122.98 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -78.5 -52.31 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 2.6 ptm85 -165.93 171.22 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.8 122.97 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . 0.899 HG21 ' HG ' ' A' ' 540' ' ' LEU . 61.3 mt -115.84 129.98 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 64.2 mt -112.14 106.47 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -109.92 143.34 39.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -146.51 121.22 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -133.94 166.39 22.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -89.11 138.76 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -112.31 31.4 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -174.06 133.97 2.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 489' ' ' GLU . 11.4 tt0 -57.11 -40.21 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.712 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 21.5 mm-40 -34.84 140.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -56.2 -40.61 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -111.86 32.44 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.712 ' HB2' ' HB2' ' A' ' 489' ' ' GLU . . . -57.97 176.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -73.1 144.1 47.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 20.4 mm -122.14 103.41 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -77.83 152.6 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 54.8 t -130.86 106.93 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.444 ' HG3' HD13 ' A' ' 495' ' ' ILE . 71.8 mttt -99.91 117.99 35.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 64.0 mt -110.04 113.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -90.91 140.12 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.672 HG12 ' CE1' ' A' ' 502' ' ' PHE . 61.1 t -129.34 111.32 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.425 ' HB3' ' CG ' ' A' ' 478' ' ' ARG . 9.0 tp10 -95.18 125.57 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.672 ' CE1' HG12 ' A' ' 500' ' ' VAL . 83.9 m-85 -110.63 170.28 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 78.3 p -63.07 -47.42 82.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 506' ' ' SER . 16.0 pt -126.64 162.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.59 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . 0.416 ' HB3' HD12 ' A' ' 504' ' ' ILE . 3.0 t -53.63 -59.88 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -50.13 -45.84 53.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 12.1 m -58.95 -61.82 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -42.03 -41.1 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.67 -56.96 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -46.62 -36.85 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.86 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -41.56 -30.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -84.98 -48.65 9.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.509 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 17.4 mt -89.44 24.64 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -86.5 -0.89 57.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -174.93 37.07 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -79.12 159.28 27.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.728 0.299 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -103.4 111.05 23.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.451 ' HB2' ' CG2' ' A' ' 525' ' ' VAL . 29.9 t80 -82.19 158.15 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.46 90.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 74.11 22.62 77.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.433 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . 0.491 ' CZ ' ' OD1' ' A' ' 454' ' ' ASP . 96.7 mtt180 -155.93 169.36 24.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -106.61 150.08 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 18.5 t -113.69 145.15 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . 0.822 HG12 ' OE1' ' A' ' 528' ' ' GLU . 18.3 t -142.07 111.0 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . 0.443 ' C ' ' OE1' ' A' ' 528' ' ' GLU . . . -101.71 129.22 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.822 ' OE1' HG12 ' A' ' 526' ' ' VAL . 3.1 mp0 -119.55 170.01 9.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 19.7 t -94.67 147.55 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -131.07 129.92 42.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -82.82 141.83 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 535' ' ' PHE . 0.0 OUTLIER -72.86 -43.71 62.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . 0.427 ' N ' ' OE1' ' A' ' 532' ' ' GLN . 37.4 tt0 -38.17 -42.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -83.95 -28.79 27.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 532' ' ' GLN . 74.6 t80 -80.21 42.62 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -94.29 -47.91 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . 0.44 ' ND2' ' HD3' ' A' ' 545' ' ' PRO . 2.3 p30 -46.16 -40.81 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 54.1 m 43.01 42.87 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -127.42 77.15 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.899 ' HG ' HG21 ' A' ' 480' ' ' ILE . 4.4 mm? -87.39 46.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 34.5 t -121.7 -60.2 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.09 -60.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 34.6 p -161.89 173.19 14.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -133.33 -158.02 8.58 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.44 ' HD3' ' ND2' ' A' ' 537' ' ' ASN . 53.8 Cg_endo -69.75 131.31 20.99 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.728 2.286 . . . . 0.0 112.336 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 88.4 p -132.27 130.97 41.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 37.3 m -154.47 139.06 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 5.5 t -96.53 113.18 24.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 36.6 m -80.8 133.77 35.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 158.6 43.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 11.6 t -144.87 116.27 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 42.9 p -57.42 108.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -156.53 -83.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -71.62 136.57 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.65 165.49 13.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.95 104.37 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 441' ' ' LYS . 49.5 mmt-85 -125.15 131.28 53.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 440' ' ' ARG . 0.0 OUTLIER -37.37 144.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -138.6 141.99 39.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.59 103.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 4.3 t -93.65 133.53 36.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.822 HG23 ' OE1' ' A' ' 501' ' ' GLU . 4.0 t -111.97 14.31 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.611 HG21 ' CD2' ' A' ' 535' ' ' PHE . 91.4 t -106.36 104.34 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.522 ' CE ' HD21 ' A' ' 449' ' ' LEU . 44.2 ttp -93.06 159.91 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 528' ' ' GLU . 2.4 p -133.87 124.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.522 HD21 ' CE ' ' A' ' 447' ' ' MET . 35.8 mt -100.23 129.15 46.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -126.39 165.08 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 24.5 t30 47.52 46.87 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 24.2 ttt -102.32 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.99 144.87 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . 0.462 ' CG ' ' HG2' ' A' ' 456' ' ' LYS . 40.9 p30 -59.67 153.17 53.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.92 15.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.462 ' HG2' ' CG ' ' A' ' 454' ' ' ASP . 1.0 OUTLIER -90.12 -16.28 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -96.17 8.95 42.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 13.6 mm -66.59 107.44 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.74 165.96 23.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -60.14 -29.78 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.3 -42.68 71.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 463' ' ' GLU . 46.1 tp -46.49 -63.14 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.7 tt0 -35.76 -48.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.88 93.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.34 -46.63 69.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.91 -41.18 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 62.9 m -59.45 -44.7 92.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -63.96 -60.88 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -49.56 -36.55 24.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 471' ' ' GLY . 99.2 m -72.72 -53.26 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -34.94 -37.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -48.17 -50.1 30.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.699 ' CG ' ' HB2' ' A' ' 511' ' ' ALA . 44.5 m-85 -57.52 -51.26 70.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -171.18 -160.08 18.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -78.1 109.96 12.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.52 118.71 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 503' ' ' SER . 3.4 m-20 -79.63 -46.98 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 478' ' ' ARG . 1.8 ptp180 -173.36 158.75 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 63.2 t -132.45 139.81 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . 0.437 HD13 HD21 ' A' ' 540' ' ' LEU . 68.0 mt -128.02 138.22 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 71.6 mt -112.67 100.98 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -116.64 133.58 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -137.95 131.66 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.9 152.8 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.535 ' HE2' HD11 ' A' ' 494' ' ' ILE . 12.3 ttmt -58.77 133.11 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -110.97 23.5 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -159.99 145.77 11.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.18 -28.26 65.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.634 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 24.3 mt-10 -45.66 131.13 9.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -51.42 -32.55 26.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -119.13 29.77 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.634 ' HB2' ' HB2' ' A' ' 489' ' ' GLU . . . -51.85 179.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -89.1 145.22 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.535 HD11 ' HE2' ' A' ' 485' ' ' LYS . 32.6 mm -110.6 118.56 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.725 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -91.78 177.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 88.6 t -138.6 121.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -107.18 109.59 21.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 66.4 mt -97.35 111.74 27.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -89.06 113.92 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 98.6 t -106.91 105.82 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.822 ' OE1' HG23 ' A' ' 445' ' ' THR . 3.0 tp10 -97.08 128.3 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -104.38 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.475 ' N ' ' OD1' ' A' ' 477' ' ' ASN . 2.0 m -87.18 -33.8 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.712 HD11 ' CG ' ' A' ' 507' ' ' GLU . 0.2 OUTLIER -122.69 169.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -84.72 -34.34 22.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 4.8 m -59.33 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.712 ' CG ' HD11 ' A' ' 504' ' ' ILE . 0.8 OUTLIER -45.29 -39.91 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 3.5 m -63.97 -53.09 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -49.28 -38.8 28.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -64.76 -59.59 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.699 ' HB2' ' CG ' ' A' ' 473' ' ' PHE . . . -46.59 -33.61 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 47.7 mt -79.73 -54.63 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -46.61 -25.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -95.18 -58.54 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.569 ' CB ' ' HB2' ' A' ' 527' ' ' ALA . 18.0 mt -57.14 -16.66 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -52.81 -17.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -159.88 45.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -82.82 158.63 22.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -108.09 107.08 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.698 ' HB2' HG23 ' A' ' 525' ' ' VAL . 31.2 t80 -78.73 157.82 28.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -52.13 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 78.76 22.82 65.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -156.96 170.91 21.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -112.77 143.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 520' ' ' PHE . 63.0 t -115.49 146.48 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 72.1 t -133.15 114.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . 0.569 ' HB2' ' CB ' ' A' ' 515' ' ' LEU . . . -96.95 145.74 25.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.656 ' O ' HG12 ' A' ' 448' ' ' VAL . 12.1 mm-40 -148.92 155.09 40.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 529' ' ' VAL . 9.1 p -94.22 123.19 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.477 ' CZ ' ' HD2' ' A' ' 534' ' ' ARG . 17.1 t80 -84.59 135.6 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.81 122.44 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -44.9 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -41.25 -51.81 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.477 ' HD2' ' CZ ' ' A' ' 530' ' ' TYR . 10.0 ptp180 -71.37 -29.41 64.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.611 ' CD2' HG21 ' A' ' 446' ' ' VAL . 22.0 t80 -77.83 46.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -97.27 -43.19 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -85.71 126.14 33.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 51.6 m -81.54 41.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.75 92.68 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.437 HD21 HD13 ' A' ' 480' ' ' ILE . 3.9 mm? -58.2 -46.85 85.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 69.0 m -58.15 174.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -84.93 44.31 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 3.3 m -123.27 87.69 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 178.28 177.61 47.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.04 4.8 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 77.7 p -47.45 166.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 26.6 t -74.05 143.54 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 14.4 t -57.96 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 34.3 p -43.81 -57.31 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 169.0 165.68 26.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 9.4 t -133.17 169.62 16.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 76.8 p -169.3 136.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -153.36 -68.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -111.61 127.09 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 438' ' ' LEU . 10.0 tt -62.94 109.28 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.53 94.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -107.08 122.37 46.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -100.99 163.19 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -117.77 138.56 51.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 443' ' ' GLU . 2.1 mp0 -51.47 151.82 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 154.96 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 t -131.67 7.2 4.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.528 HG21 ' CG ' ' A' ' 535' ' ' PHE . 18.2 t -109.14 111.21 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.492 ' CE ' HD21 ' A' ' 449' ' ' LEU . 35.3 ttp -99.94 129.31 46.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 497' ' ' LYS . 2.6 p -109.71 116.95 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.492 HD21 ' CE ' ' A' ' 447' ' ' MET . 20.6 mt -94.73 138.41 32.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -130.44 139.38 50.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 523' ' ' ARG . 1.5 t30 69.58 49.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.411 ' CE ' HG22 ' A' ' 466' ' ' VAL . 12.7 ttt -98.17 -62.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.84 134.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.29 158.45 19.46 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.75 10.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.649 2.233 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -86.91 -17.27 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.84 9.25 43.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 49.8 mm -61.29 106.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -137.37 172.14 13.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.23 -48.91 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.52 -31.54 64.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 463' ' ' GLU . 26.0 tp -51.15 -67.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 462' ' ' LEU . 16.9 tt0 -34.83 -43.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -68.22 -46.31 65.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 462' ' ' LEU . 11.7 mm-40 -52.22 -49.46 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.411 HG22 ' CE ' ' A' ' 452' ' ' MET . 89.9 t -63.82 -43.54 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 38.6 m -60.1 -47.59 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.02 -50.83 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.14 -38.11 56.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 68.1 m -69.39 -29.47 67.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -57.71 -28.8 60.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -55.27 -39.46 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 25.7 m-85 -71.95 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -159.82 -150.44 5.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -84.96 110.32 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 59.1 t -67.3 116.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 501' ' ' GLU . 7.6 t-20 -75.86 -56.19 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 478' ' ' ARG . 3.7 ptm85 -165.48 163.64 19.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 88.9 t -133.72 133.72 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 73.7 mt -118.98 125.93 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 91.1 mt -104.93 105.23 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.406 ' CD2' HD12 ' A' ' 540' ' ' LEU . 18.7 t80 -109.12 124.08 50.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -137.49 121.23 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -160.01 150.68 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.801 ' HE3' HD11 ' A' ' 494' ' ' ILE . 24.7 ttmt -67.87 150.11 48.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -103.41 24.39 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 489' ' ' GLU . . . 171.45 111.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 487' ' ' GLY . 11.9 pt-20 -34.85 -34.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 487' ' ' GLY . 60.4 mm-40 -48.52 133.54 16.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -66.96 -3.93 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.91 -11.57 24.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -74.63 128.97 36.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.43 152.84 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.801 HD11 ' HE3' ' A' ' 485' ' ' LYS . 22.6 mm -92.11 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -70.96 166.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 55.1 t -144.66 121.03 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.466 ' HG3' HG23 ' A' ' 448' ' ' VAL . 3.6 tppt? -110.92 123.05 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.21 110.55 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.422 ' CE1' HD13 ' A' ' 540' ' ' LEU . 32.6 m-85 -92.89 142.94 26.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . 0.598 HG12 ' CE1' ' A' ' 502' ' ' PHE . 74.9 t -138.74 107.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 477' ' ' ASN . 27.2 tt0 -99.08 135.15 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.598 ' CE1' HG12 ' A' ' 500' ' ' VAL . 27.8 m-85 -107.0 172.54 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 72.8 p -64.57 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . . . . . . . . . 3.9 pt -128.71 154.51 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.36 77.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 2.0 t -42.45 -64.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -42.24 -48.83 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 7.3 m -57.24 -55.95 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -43.07 -44.52 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.7 -58.25 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.409 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -44.7 -45.23 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 516' ' ' ASN . 52.0 mt -60.15 -58.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -50.43 -24.7 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -83.88 -50.44 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 518' ' ' ARG . 21.5 mt -97.2 22.07 9.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 512' ' ' ILE . 2.8 t30 -84.74 -0.83 55.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -165.46 29.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.474 ' HG3' HD23 ' A' ' 515' ' ' LEU . 4.4 mmt-85 -71.22 161.34 31.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -119.31 102.05 8.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 521' ' ' ALA . 15.6 t80 -82.1 158.46 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.531 ' N ' ' CD1' ' A' ' 520' ' ' PHE . . . -44.87 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.455 ' O ' ' CG ' ' A' ' 523' ' ' ARG . . . 59.2 35.03 82.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 522' ' ' GLY . 44.4 mtp180 -163.3 119.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -77.09 120.56 22.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 520' ' ' PHE . 55.9 t -79.65 150.55 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.06 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.67 111.47 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -102.19 117.06 33.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.541 ' CG ' ' N ' ' A' ' 529' ' ' VAL . 9.6 tt0 -109.47 165.7 11.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.541 ' N ' ' CG ' ' A' ' 528' ' ' GLU . 9.8 p -102.34 125.56 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 534' ' ' ARG . 1.3 t80 -94.41 99.23 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -36.92 143.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -56.83 -17.7 10.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -78.7 -44.1 24.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.595 ' HB2' ' CE2' ' A' ' 530' ' ' TYR . 0.6 OUTLIER -59.94 -33.58 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.528 ' CG ' HG21 ' A' ' 446' ' ' VAL . 4.6 t80 -82.4 30.19 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -72.02 -45.28 61.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -119.41 172.04 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 8.0 t -88.82 -18.23 28.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -80.98 114.57 19.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.422 HD13 ' CE1' ' A' ' 499' ' ' PHE . 9.4 mt -91.44 -44.51 9.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.09 -70.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -106.62 138.56 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.9 p -68.7 110.35 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 50.78 -158.03 2.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 19.4 m -65.35 105.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 4.8 t -112.48 105.98 14.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 13.3 m 55.24 54.33 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 22.8 t -88.57 -47.85 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -141.05 93.31 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 435' ' ' SER . 2.9 m -143.63 117.11 9.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 434' ' ' SER . 91.8 p -35.54 143.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 137.94 130.44 2.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -119.8 140.83 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.62 32.57 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.51 129.19 38.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -116.35 166.95 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -73.83 140.29 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -109.15 103.95 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -125.79 -179.04 4.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 5.1 m -54.46 102.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.1 t -104.99 19.73 20.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 62.1 t -118.52 97.83 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 447' ' ' MET . 8.7 tmm? -93.69 136.95 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.548 HG13 ' HB3' ' A' ' 528' ' ' GLU . 7.1 p -116.55 132.17 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 93.9 mt -99.35 133.69 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -127.61 140.99 51.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 68.04 42.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 16.7 ttt -94.69 -60.93 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.406 HG12 ' CZ ' ' A' ' 520' ' ' PHE . 11.1 m -141.77 127.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.68 158.63 0.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 1.53 4.35 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -86.75 -30.73 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -90.14 19.0 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 33.8 mm -73.38 107.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.12 -38.54 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.04 -42.62 98.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 36.0 tp -43.91 -54.98 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -41.74 -52.48 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -60.53 -47.4 91.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -48.5 -57.53 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.68 -42.62 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.8 m -57.97 -53.65 55.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.1 -48.26 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -58.16 -61.55 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' GLY . 92.0 m -40.68 -43.25 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' CYS . . . -38.27 -38.85 0.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.88 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 511' ' ' ALA . 18.6 m-85 -46.75 -46.0 20.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 179.36 -158.98 23.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -75.72 116.46 16.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.57 118.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -78.73 -55.84 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 478' ' ' ARG . 3.9 ptp180 -162.46 167.81 22.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 61.7 t -141.34 138.61 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 75.5 mt -137.78 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 70.3 mt -119.31 104.97 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -109.09 132.78 53.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -142.28 128.73 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -147.35 163.14 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.717 ' HE3' ' HB3' ' A' ' 492' ' ' ALA . 13.3 tttp -72.51 135.32 45.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -113.53 25.65 11.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . -157.5 144.22 10.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -66.16 -37.34 85.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 492' ' ' ALA . 48.1 mm-40 -42.67 131.58 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -56.48 -17.34 7.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -128.47 29.51 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . 0.717 ' HB3' ' HE3' ' A' ' 485' ' ' LYS . . . -59.11 171.74 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.12 153.64 38.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . . . . . . . . . 51.0 mm -118.93 126.51 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.719 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.0 pp -101.36 156.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 74.4 t -131.49 109.77 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -92.93 123.63 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 63.7 mt -105.22 112.73 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -95.07 131.47 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 96.7 t -134.01 112.35 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.99 141.09 37.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.479 ' HD1' ' HG1' ' A' ' 508' ' ' THR . 96.4 m-85 -116.67 171.09 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.2 m -58.29 -47.25 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.404 ' CG1' ' HG2' ' A' ' 507' ' ' GLU . 25.0 pt -123.56 162.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -68.56 -41.12 80.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 5.8 t -44.14 -63.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.404 ' HG2' ' CG1' ' A' ' 504' ' ' ILE . 2.8 mm-40 -47.34 -46.8 25.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.479 ' HG1' ' HD1' ' A' ' 502' ' ' PHE . 91.3 m -57.05 -60.98 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -41.52 -42.72 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -62.21 -46.57 88.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.557 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -56.3 -40.88 75.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 516' ' ' ASN . 89.6 mt -66.48 -58.46 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -45.91 -35.86 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -77.92 -52.19 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.513 HD23 ' HG3' ' A' ' 518' ' ' ARG . 15.2 mt -89.2 25.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 516' ' ' ASN . 0.5 OUTLIER -86.5 -10.2 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -162.91 32.1 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.513 ' HG3' HD23 ' A' ' 515' ' ' LEU . 7.0 mmp_? -72.55 158.53 35.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -107.9 110.04 21.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.742 ' HB2' HG23 ' A' ' 525' ' ' VAL . 30.4 t80 -81.44 158.14 24.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.29 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 79.0 22.49 65.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -153.09 166.34 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -109.29 132.54 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.742 HG23 ' HB2' ' A' ' 520' ' ' PHE . 54.8 t -103.19 136.66 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.21 120.22 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -100.2 120.92 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . 0.548 ' HB3' HG13 ' A' ' 448' ' ' VAL . 32.5 tt0 -108.47 167.77 9.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 529' ' ' VAL . 11.2 p -108.88 114.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -87.51 134.0 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -66.45 129.39 39.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 533' ' ' GLU . 10.3 pt20 -64.64 -44.46 90.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 532' ' ' GLN . 20.7 tt0 -39.94 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -45.53 -34.53 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -76.04 48.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -96.74 -40.3 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -114.63 178.82 4.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 47.8 m -79.01 46.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.94 -32.63 3.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.94 -42.54 90.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 30.8 t -66.43 169.65 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -59.33 -54.47 46.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 38.2 m -49.73 -64.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 60.47 -156.85 30.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 145.33 56.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 53.6 p -68.34 165.29 18.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 91.6 p -117.88 134.6 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 16.6 m -115.8 87.75 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' SER . . . . . . . . . . . . . 18.7 m -43.96 105.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 171.22 61.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 5.0 t -38.12 -63.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 52.1 m -82.21 144.61 30.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 141.68 130.62 2.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.68 137.9 48.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 20.5 tp -54.73 100.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 18.0 mt -94.44 -56.62 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -62.92 162.79 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -116.98 108.31 15.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -115.07 104.87 12.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 505' ' ' ALA . 15.6 mt-10 -43.69 122.52 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 8.0 t -103.48 107.73 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.41 HG23 ' HG3' ' A' ' 501' ' ' GLU . 12.5 t -84.04 20.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 45.8 t -108.72 100.67 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.612 ' HB2' HG22 ' A' ' 508' ' ' THR . 8.6 tmm? -96.39 133.61 40.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 14.5 p -120.08 137.85 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 16.9 mt -107.67 145.35 33.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -133.54 148.86 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 2.9 t30 56.43 35.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.525 ' HA ' HG22 ' A' ' 525' ' ' VAL . 8.1 ttt -93.46 -49.3 5.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.421 HG13 ' HG2' ' A' ' 452' ' ' MET . 3.4 m -142.2 133.8 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.26 158.75 26.14 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.54 0.686 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.378 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -92.03 -38.55 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -30.9 70.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' ILE . . . . . 0.404 HD11 HG11 ' A' ' 496' ' ' VAL . 35.3 mm -37.0 113.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.81 156.71 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.47 -27.68 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.36 -40.81 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 463' ' ' GLU . 18.2 tp -58.66 -57.54 12.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 462' ' ' LEU . 5.5 tt0 -36.68 -57.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.63 94.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.62 -47.3 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.89 -44.44 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 55.5 m -56.96 -32.61 66.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -80.61 -36.93 32.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -72.69 -23.76 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' CYS . . . . . . . . . . . . . 85.3 m -84.43 -2.54 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -77.81 -25.17 63.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 472' ' ' LYS . 3.0 mmtp -59.6 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.676 ' CZ ' HD11 ' A' ' 515' ' ' LEU . 45.6 m-85 -47.92 -45.85 31.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 176.29 -129.26 1.48 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -101.11 112.18 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.73 138.43 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -102.39 -62.0 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -146.33 157.44 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.09 113.85 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' ILE . . . . . . . . . . . . . 17.7 mt -130.05 125.18 59.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 78.3 mt -104.69 98.45 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -98.13 132.0 44.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.87 129.31 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -144.43 159.18 43.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . 0.445 ' HD3' ' CD1' ' A' ' 494' ' ' ILE . 11.5 ttpt -85.6 145.17 27.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -99.13 23.32 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' GLY . . . . . . . . . . . . . . . 177.3 124.63 0.85 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.29 -37.29 10.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -53.04 132.07 37.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.89 -33.4 70.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -65.45 -26.73 68.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' ALA . . . . . . . . . . . . . . . -49.42 136.25 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -72.14 145.37 48.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' ILE . . . . . 0.445 ' CD1' ' HD3' ' A' ' 485' ' ' LYS . 13.6 mm -97.42 115.62 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.666 ' C ' HD12 ' A' ' 495' ' ' ILE . 2.1 pp -91.85 168.02 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' VAL . . . . . 0.404 HG11 HD11 ' A' ' 458' ' ' ILE . 93.6 t -139.49 117.53 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -101.06 118.81 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 74.3 mt -100.28 119.14 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -98.95 124.06 43.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.66 104.62 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' HG23 ' A' ' 445' ' ' THR . 21.7 tt0 -100.7 134.46 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . 0.476 ' HD1' HG23 ' A' ' 508' ' ' THR . 79.5 m-85 -104.88 170.89 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 44.5 t -58.21 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 506' ' ' SER . 28.6 pt -119.71 155.35 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 443' ' ' GLU . . . -59.68 -38.82 82.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' SER . . . . . 0.5 ' HB3' HD12 ' A' ' 504' ' ' ILE . 43.0 t -48.67 -66.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -44.52 -44.9 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.612 HG22 ' HB2' ' A' ' 447' ' ' MET . 1.3 m -56.98 -61.66 2.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -42.34 -44.53 3.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -57.36 -55.03 40.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 473' ' ' PHE . . . -49.58 -38.19 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.2 mt -68.83 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -44.43 -24.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -88.79 -45.15 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.676 HD11 ' CZ ' ' A' ' 473' ' ' PHE . 1.0 OUTLIER -98.54 31.45 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -89.83 -3.54 58.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' GLY . . . . . . . . . . . . . . . -163.29 29.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -66.26 158.39 29.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -117.5 100.4 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.501 ' HB2' HG23 ' A' ' 525' ' ' VAL . 18.6 t80 -76.9 159.43 30.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -47.62 89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . 69.74 28.96 71.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 520' ' ' PHE . 79.4 mtt180 -156.22 123.78 5.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -80.24 118.9 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.525 HG22 ' HA ' ' A' ' 452' ' ' MET . 94.8 t -84.94 157.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' VAL . . . . . 0.495 ' N ' HG12 ' A' ' 525' ' ' VAL . 19.9 t -149.01 116.12 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -98.46 139.96 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -143.14 159.45 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 529' ' ' VAL . 7.0 p -94.63 117.16 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -73.15 178.84 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -100.91 96.43 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.406 ' HA ' ' CB ' ' A' ' 535' ' ' PHE . 26.8 tt0 -63.03 -33.34 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -46.23 -36.04 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -101.83 -20.7 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' PHE . . . . . 0.406 ' CB ' ' HA ' ' A' ' 532' ' ' GLN . 32.8 t80 -57.57 -16.84 11.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -52.14 -56.61 13.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -77.44 123.02 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 35.2 t -83.1 42.64 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -99.13 78.54 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.52 -62.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 58.4 p -50.63 -42.29 56.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -128.31 110.55 12.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 46.3 t -43.1 132.03 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 51.41 -157.68 2.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 122.82 9.49 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.306 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 m -44.84 -65.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 23.3 t -73.55 105.33 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 stop_ save_