data_1mv0_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 1mv0 _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 ' 59' ' ' PRO . . . . . 0.431 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.6 38.58 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 129.18 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.9 p -92.79 158.07 38.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.42 16.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 143.26 28.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.83 -22.59 20.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.97 146.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.8 mtt -106.94 -71.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 23.8 p90 -156.59 -179.41 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.53 146.61 27.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.446 ' CG1' HG21 ' B' ' 438' ' ' VAL . 2.2 m -129.42 167.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -134.39 130.89 37.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -75.22 155.5 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.426 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 9.6 mt-30 -125.59 1.15 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.0 m-70 -144.93 170.02 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -111.75 101.37 9.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.612 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 1.7 t80 -115.69 107.35 14.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.6 m -75.72 113.79 13.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.612 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -112.49 117.52 32.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -118.27 94.92 4.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 3.5 t0 -142.29 -174.81 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.0 t -86.66 -5.07 59.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.74 37.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.492 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.7 mm-40 -92.71 168.86 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . 0.472 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -125.97 113.92 17.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -79.45 133.52 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' B' ' 436' ' ' VAL . 3.4 mm? -125.31 143.43 50.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -128.21 124.35 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.506 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -31.69 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 97.02 52.05 1.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.518 ' OD2' ' CD ' ' B' ' 456' ' ' LYS . 5.9 t70 -113.3 169.89 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 6.7 m -120.28 126.43 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' B' ' 430' ' ' LEU . 78.9 t -136.54 150.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.606 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.74 128.63 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.446 HG21 ' CG1' ' B' ' 414' ' ' VAL . 18.7 t -79.01 120.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.454 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -125.05 154.4 71.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . 0.403 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 115.78 4.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.537 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.3 t70 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' B' ' 449' ' ' GLU . 6.9 pt-20 -74.74 111.14 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -5.72 64.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.615 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.6 OUTLIER -134.53 145.93 49.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.45 171.98 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.36 112.82 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.454 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -136.67 165.71 24.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.527 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 9.5 p -127.38 143.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.4 mtmp? -79.14 161.24 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 2.2 tt0 -57.8 -41.37 82.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.18 98.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.527 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 71.1 m-20 -62.06 -33.2 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.606 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.8 t90 -52.45 -47.7 66.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -58.06 -26.28 62.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.417 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.16 17.86 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -24.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' B' ' 462' ' ' GLN . 9.9 mmtt -58.33 -30.89 67.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -134.16 41.98 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.64 -31.48 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -60.21 -19.38 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.18 7.48 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 -10.23 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -62.45 155.06 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.472 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -167.13 -179.52 40.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 18.5 t -121.93 144.52 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.765 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -148.04 150.06 34.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.606 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.04 117.27 4.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' B' ' 475' ' ' GLU . 1.8 tt0 -69.41 -28.72 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.2 -5.73 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' B' ' 478' ' ' THR . 0.0 OUTLIER -110.53 0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.583 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.3 p -127.34 176.94 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . 0.426 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 3.4 tt0 -129.5 143.33 50.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.552 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 4.2 mtt180 -79.58 141.74 36.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 21.7 t -119.71 119.57 31.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.943 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.98 37.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.0 128.89 39.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.2 p -92.13 157.59 40.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.542 1.811 . . . . 0.0 111.016 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . 0.401 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -74.96 134.18 17.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.428 1.752 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 143.04 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.74 -23.25 17.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.467 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.9 t80 -36.14 146.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.9 mtt -106.79 -71.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.574 ' CE1' HG22 ' B' ' 438' ' ' VAL . 23.8 p90 -156.79 179.95 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.39 146.56 25.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.455 HG12 ' CG2' ' B' ' 438' ' ' VAL . 10.5 m -124.69 166.36 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 23.8 tp60 -134.41 119.62 18.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.53 149.45 50.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -121.56 -0.06 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.583 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 80.1 m-70 -147.65 168.94 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -109.1 105.27 14.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.615 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 1.8 t80 -115.87 109.5 17.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -77.36 112.98 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.615 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -112.93 117.91 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.7 p -118.35 93.96 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.454 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 7.4 t0 -141.9 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -89.09 2.49 54.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -168.56 35.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.454 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.34 170.81 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 5.7 tp -129.12 114.17 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -80.96 131.03 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.251 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.458 ' CD1' HG23 ' B' ' 436' ' ' VAL . 4.2 mm? -121.89 140.24 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.9 128.8 51.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.34 102.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.57 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.426 ' CG ' ' CE ' ' B' ' 431' ' ' LYS . 8.5 t0 -109.87 167.56 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.415 HG23 ' CB ' ' B' ' 457' ' ' GLU . 4.8 m -119.08 119.9 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.458 HG23 ' CD1' ' B' ' 430' ' ' LEU . 20.7 t -129.32 149.96 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.658 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -110.04 124.94 52.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.574 HG22 ' CE1' ' B' ' 412' ' ' PHE . 43.8 t -77.18 113.98 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.451 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 153.88 54.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.2 t0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.3 OUTLIER -74.22 111.07 9.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.1 -4.13 62.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.606 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -134.85 149.66 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.88 172.36 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 453' ' ' MET . . . . . 0.406 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.3 OUTLIER -90.45 112.49 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.039 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.451 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -134.12 175.4 20.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' B' ' 459' ' ' ASP . 7.1 p -138.02 143.58 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.45 ' CG ' HG21 ' B' ' 436' ' ' VAL . 2.9 mtmp? -79.05 160.05 27.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.415 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.7 tt0 -58.36 -42.78 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -41.75 94.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' B' ' 455' ' ' VAL . 11.3 m-20 -64.37 -31.91 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.658 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.8 t90 -51.23 -47.54 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . 0.401 ' HB2' ' NE2' ' B' ' 462' ' ' GLN . 41.2 m-80 -54.21 -25.95 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.447 ' C ' ' N ' ' B' ' 464' ' ' LYS . 35.7 mm-40 -93.22 17.36 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' B' ' 460' ' ' TRP . 8.8 t60 -45.45 -22.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.9 OUTLIER -57.72 -30.17 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.07 45.83 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.2 OUTLIER -54.32 -32.65 57.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . 0.413 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 5.4 mt-10 -62.06 -17.38 57.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 6.26 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.401 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -114.84 -9.02 12.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 4.1 mtm180 -59.42 149.54 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.406 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -160.1 171.97 36.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 37.9 t -119.77 142.88 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -149.58 151.95 34.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.93 -29.23 67.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.77 -5.91 37.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -111.3 3.41 18.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.557 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.4 p -130.26 -179.33 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 149.8 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -88.44 140.67 29.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 49.0 t -116.83 127.52 26.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.458 1.768 . . . . 0.0 111.022 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.416 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.05 36.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 130.0 44.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 93.2 p -91.12 156.96 43.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.45 16.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.88 28.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.63 -22.95 18.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.47 149.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 0.797 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 411' ' ' MET . . . . . 0.421 ' HE1' ' CG1' ' B' ' 438' ' ' VAL . 9.8 mtt -110.74 -71.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.557 ' CE1' HG23 ' B' ' 438' ' ' VAL . 21.1 p90 -158.56 -179.87 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 145.42 27.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.434 ' CG2' ' HB ' ' B' ' 436' ' ' VAL . 9.6 m -123.92 166.63 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 19.5 tp60 -133.49 119.69 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.58 150.94 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -121.87 -0.51 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.581 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.9 m-70 -145.97 169.43 18.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 8.0 p-10 -110.29 102.77 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 1.4 t80 -113.61 106.46 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 6.4 m -76.1 113.57 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.387 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.602 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.76 118.33 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 58.6 p -117.91 94.79 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.41 -175.22 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 15.3 t -86.35 0.88 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -171.55 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.462 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.1 mm-40 -91.94 169.5 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 6.4 tp -124.11 113.55 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . 0.518 ' O ' ' CE ' ' B' ' 456' ' ' LYS . 3.3 tt0 -82.39 132.53 35.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -125.02 138.72 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.0 128.5 52.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.01 101.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.39 47.89 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.415 ' O ' ' NE2' ' B' ' 415' ' ' GLN . 29.4 t0 -111.86 169.18 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 1.3 m -118.92 126.06 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' B' ' 430' ' ' LEU . 25.1 t -134.95 146.54 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.574 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -107.08 127.28 53.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' B' ' 412' ' ' PHE . 42.7 t -79.72 110.54 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.459 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.31 154.14 48.78 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 116.19 4.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.51 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.619 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 9.4 t0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' B' ' 449' ' ' GLU . 5.4 pt-20 -71.53 113.7 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.0 -4.28 62.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.619 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.7 OUTLIER -135.46 152.39 51.32 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.86 170.9 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.14 113.01 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.459 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -135.46 168.44 23.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.574 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 9.9 p -130.99 144.94 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CE ' ' O ' ' B' ' 429' ' ' GLN . 0.1 OUTLIER -78.04 159.53 28.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -58.04 -37.74 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.96 96.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.574 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 20.9 m-20 -61.09 -33.34 73.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.574 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.14 -47.23 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.051 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -56.07 -26.2 48.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.6 OUTLIER -98.81 17.01 20.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -45.78 -23.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.7 tttp -57.97 -30.88 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -131.62 46.19 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.73 -30.44 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.11 -17.8 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -115.65 7.48 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 16.4 m -109.76 -23.64 11.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.256 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -50.83 130.83 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -145.81 -177.85 20.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 9.4 t -128.05 143.01 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -151.34 152.24 30.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.594 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 117.77 5.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.75 -30.8 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.16 -6.36 38.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -109.4 1.74 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.562 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.33 179.44 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -131.69 146.58 52.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 134.36 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' B' ' 482' ' ' PRO . 57.6 t -106.05 137.47 19.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 481' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.33 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 129.29 41.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -92.09 158.12 39.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.72 16.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.68 30.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.12 -22.17 16.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.39 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 411' ' ' MET . . . . . 0.451 ' CE ' HG13 ' B' ' 438' ' ' VAL . 10.2 mtt -107.97 -71.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' B' ' 438' ' ' VAL . 18.6 p90 -159.48 179.76 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.2 143.81 29.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.495 ' CG1' ' CG2' ' B' ' 438' ' ' VAL . 4.3 m -122.72 167.1 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 20.0 tp60 -133.35 118.66 18.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.36 148.45 51.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -119.31 -1.54 10.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.599 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 72.6 m-70 -143.92 169.34 17.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 0.0 OUTLIER -110.5 101.99 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.5 t80 -115.57 113.6 23.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 7.7 m -80.3 113.57 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.604 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.51 116.46 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 26.6 p -120.16 93.53 4.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.503 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.5 t0 -142.33 -175.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 425' ' ' THR . . . . . 0.407 ' O ' ' OD1' ' B' ' 426' ' ' ASP . 9.9 t -78.94 -14.94 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 425' ' ' THR . 1.0 OUTLIER -153.69 39.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.503 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.0 OUTLIER -91.68 163.27 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 5.9 tp -125.98 113.01 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -76.24 137.09 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.492 ' CD1' ' OD2' ' B' ' 434' ' ' ASP . 4.5 mm? -129.95 141.88 50.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -123.83 132.23 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -39.02 97.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.22 45.84 1.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.492 ' OD2' ' CD1' ' B' ' 430' ' ' LEU . 20.2 t70 -108.16 169.45 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 2.7 m -118.56 128.02 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 54.5 t -137.0 149.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.613 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.18 127.5 55.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' B' ' 412' ' ' PHE . 28.2 t -78.85 115.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.449 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -122.13 153.67 61.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . 0.407 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.12 4.49 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.51 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.614 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.0 t0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.41 113.33 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -3.25 62.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.614 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.0 OUTLIER -136.14 151.61 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.29 170.65 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.22 113.19 22.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.449 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -134.15 174.98 20.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.527 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 11.6 p -136.53 143.55 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.462 ' CG ' HG21 ' B' ' 436' ' ' VAL . 0.5 OUTLIER -80.24 160.61 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.9 -41.64 83.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -35.53 80.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.527 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 87.1 m-20 -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.613 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -51.94 -47.83 64.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.19 -26.07 36.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.95 16.72 13.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -45.75 -23.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' B' ' 462' ' ' GLN . 13.6 pttt -58.15 -29.8 65.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -133.16 43.46 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -55.1 -31.7 61.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.15 -21.26 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.15 7.45 15.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 -23.12 11.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 2.3 mtt180 -50.62 151.0 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.45 -179.72 35.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 51.7 t -123.6 142.99 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -151.09 152.19 30.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.614 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 115.58 4.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.98 -31.58 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.2 OUTLIER -69.01 -8.03 41.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.599 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -108.23 1.31 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 111.014 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.565 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -127.25 174.84 8.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.74 147.12 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -85.74 136.23 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' B' ' 482' ' ' PRO . 23.0 t -107.18 140.35 21.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . 0.453 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.94 38.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.76 130.38 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 p -92.13 158.19 39.7 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.011 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . 0.408 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.0 134.83 18.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 143.13 28.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.02 -22.48 22.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.09 146.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -105.72 -71.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.535 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 15.8 p90 -160.28 179.55 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.5 145.17 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . . . . . . . . . 2.9 m -125.42 166.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -133.9 121.53 21.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -68.88 151.95 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -121.07 -0.63 9.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 81.6 m-70 -145.58 169.86 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.667 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.28 103.61 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.61 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 2.1 t80 -115.3 109.62 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 8.4 m -78.3 113.17 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.61 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.6 117.23 31.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.0 p -119.6 93.02 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t0 -141.83 -175.14 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 3.6 t -81.66 -11.33 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.93 39.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.49 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.0 OUTLIER -91.84 161.77 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 12.4 tp -122.61 113.1 18.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -78.37 137.06 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' B' ' 436' ' ' VAL . 3.7 mm? -130.37 143.81 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.38 132.74 53.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -38.94 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.29 48.77 1.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.494 ' OD2' ' CD1' ' B' ' 430' ' ' LEU . 30.0 t70 -111.63 169.4 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.402 ' CG2' ' CB ' ' B' ' 457' ' ' GLU . 9.2 m -117.04 128.33 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' B' ' 430' ' ' LEU . 19.6 t -138.11 148.76 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.48 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -108.78 132.82 53.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.488 HG23 ' CE1' ' B' ' 412' ' ' PHE . 37.1 t -86.25 110.68 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.45 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -115.88 153.75 48.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 6.6 t0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.76 112.3 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.04 63.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.603 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.9 OUTLIER -134.45 150.85 50.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.416 ' CD2' ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -139.08 172.17 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.79 113.47 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.45 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -136.03 174.37 21.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' B' ' 437' ' ' LEU . 6.9 p -136.66 146.05 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.428 ' CG ' HG22 ' B' ' 436' ' ' VAL . 0.9 OUTLIER -81.8 160.88 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.402 ' CB ' ' CG2' ' B' ' 435' ' ' VAL . 4.4 tt0 -58.25 -42.15 85.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -44.36 97.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.9 -33.17 73.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.48 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.6 t90 -52.97 -47.8 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -54.77 -26.03 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' B' ' 464' ' ' LYS . 63.8 mm-40 -91.82 17.94 8.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -45.05 -24.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.45 -30.45 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.76 49.21 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.83 -17.08 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.43 7.66 15.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.93 -23.81 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -50.34 142.46 10.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.98 178.83 35.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 29.2 t -124.69 142.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -149.05 152.54 36.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.28 -27.62 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -72.8 -6.85 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.593 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -109.96 2.38 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.526 HG22 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -127.23 177.23 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.4 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.28 143.71 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -82.69 134.25 35.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.95 115.92 62.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.74 38.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 128.78 38.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 p -93.61 158.64 36.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -75.04 135.17 18.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.1 21.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.91 -22.54 21.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.1 t80 -36.5 147.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 411' ' ' MET . . . . . 0.455 ' CE ' ' CG1' ' B' ' 438' ' ' VAL . 7.2 mtt -104.55 -70.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.583 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.1 p90 -159.05 174.7 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.412 ' CD ' HD22 ' B' ' 437' ' ' LEU . 0.0 OUTLIER -95.14 141.26 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.412 ' N ' ' HE2' ' B' ' 413' ' ' LYS . 3.2 m -123.86 165.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -134.12 121.45 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.11 150.88 48.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.51 -0.83 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.614 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.4 m-70 -142.93 168.88 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -110.3 103.0 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.527 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 2.8 t80 -115.81 110.32 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -82.02 114.43 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.527 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -109.52 117.38 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 60.7 p -116.94 92.68 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.57 -174.56 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.7 t -91.82 7.36 42.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -177.64 59.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.445 ' C ' ' CD ' ' B' ' 427' ' ' GLU . 0.4 OUTLIER -119.02 171.37 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 7.0 tp -122.79 113.53 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -80.64 134.9 35.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' B' ' 436' ' ' VAL . 3.5 mm? -126.22 138.62 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -122.64 124.71 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -33.76 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.2 46.9 1.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.427 ' OD2' ' CE ' ' B' ' 431' ' ' LYS . 6.8 t0 -109.91 169.08 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' B' ' 457' ' ' GLU . 0.1 OUTLIER -119.08 115.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.449 HG23 ' CD1' ' B' ' 430' ' ' LEU . 10.1 t -127.72 143.02 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.567 HD12 ' CE3' ' B' ' 460' ' ' TRP . 0.1 OUTLIER -107.99 132.96 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.455 ' CG1' ' CE ' ' B' ' 411' ' ' MET . 4.3 t -83.01 112.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.463 HD13 ' CA ' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.54 151.19 49.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.543 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.503 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 23.5 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.71 111.55 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.06 -3.92 62.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.601 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.9 OUTLIER -135.77 143.36 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.16 171.28 12.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.463 ' CA ' HD13 ' B' ' 439' ' ' ILE . . . -133.73 176.57 19.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.502 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 4.1 p -138.22 144.94 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -78.06 162.72 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.461 ' CB ' HG21 ' B' ' 435' ' ' VAL . 2.0 tt0 -59.56 -45.26 92.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -43.34 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.502 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 59.7 m-20 -59.74 -32.03 70.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.567 ' CE3' HD12 ' B' ' 437' ' ' LEU . 3.6 t90 -52.47 -46.99 66.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.43 -24.57 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.476 ' NE2' ' N ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -84.3 17.91 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -23.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.1 OUTLIER -57.02 -30.28 64.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 49.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.412 ' O ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -61.4 -31.09 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.89 -29.08 59.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 8.42 39.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -102.66 -22.53 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -50.87 137.61 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -156.97 179.22 32.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 10.1 t -122.45 143.33 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.425 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 16.9 p90 -148.54 148.48 28.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.601 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.36 -29.26 67.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.54 -6.17 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -112.51 1.15 15.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.555 HG22 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.95 171.72 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -125.91 144.55 50.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.573 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.1 OUTLIER -82.8 136.68 34.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 28.0 t -112.04 117.6 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.959 -0.439 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.89 37.88 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 129.37 41.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 p -92.56 158.03 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.05 17.33 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.31 31.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.87 -21.02 21.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 20.0 t80 -36.87 151.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.27 -70.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' B' ' 438' ' ' VAL . 20.0 p90 -158.12 -179.93 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 144.09 30.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.491 ' CG1' HG22 ' B' ' 438' ' ' VAL . 10.1 m -122.78 165.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 13.8 tp60 -133.2 119.1 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.53 142.79 57.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -114.35 -1.26 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.612 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 44.3 m-70 -144.65 170.41 16.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 9.3 p-10 -111.07 105.72 14.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.615 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 2.5 t80 -115.76 124.44 50.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -88.15 114.2 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.615 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -112.5 116.39 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -119.46 93.15 3.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.453 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 5.5 t0 -142.9 -175.2 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -89.76 0.15 57.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -164.22 32.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.8 mm-40 -91.03 167.56 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.08 113.59 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -77.59 139.66 39.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 4.1 mm? -129.73 143.06 50.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.529 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.58 125.23 39.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.15 108.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.63 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.445 ' O ' ' NE2' ' B' ' 415' ' ' GLN . 5.0 t0 -104.79 165.55 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 0.0 OUTLIER -119.68 115.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.502 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 53.5 t -125.92 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.591 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -105.62 131.92 52.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' B' ' 412' ' ' PHE . 52.9 t -83.6 110.85 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.449 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.03 153.37 52.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.557 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.475 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 34.6 t70 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.71 117.42 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.12 -5.3 68.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.603 ' CZ3' ' HD3' ' B' ' 474' ' ' PRO . 1.0 OUTLIER -135.93 156.99 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.91 171.73 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 453' ' ' MET . . . . . 0.406 ' CE ' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.21 112.66 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.463 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -139.32 165.64 25.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.547 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 2.2 p -126.39 145.27 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 109.246 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.477 ' CG ' HG22 ' B' ' 436' ' ' VAL . 2.1 mtmp? -78.61 162.64 26.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.475 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 2.3 tt0 -58.19 -42.56 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -35.59 80.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.547 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 23.8 m-20 -66.29 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.591 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.5 -47.89 66.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.2 17.75 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -23.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 16.6 mtmt -58.28 -30.76 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -138.63 51.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.7 pp -62.44 -30.55 71.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.4 -34.31 61.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 7.78 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.69 -18.36 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 2.3 mtt180 -58.39 151.6 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.406 ' O ' ' CE ' ' B' ' 453' ' ' MET . . . -165.44 -178.61 38.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 71.0 t -118.94 143.13 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.463 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 15.8 p90 -146.4 149.68 38.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' B' ' 476' ' ' ASN . 0.7 OUTLIER -73.05 -4.98 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.612 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -114.18 4.26 15.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.556 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.15 174.33 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -125.5 144.32 50.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.552 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 3.7 mtt180 -82.28 131.63 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.97 131.63 23.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.462 1.77 . . . . 0.0 110.983 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.53 38.59 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.53 129.69 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.8 p -92.83 158.92 37.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . 0.415 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -74.96 135.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.34 20.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . . . . . . . . . . . 91.22 -22.01 31.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.492 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.3 t80 -36.88 147.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.76 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.75 -68.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' B' ' 438' ' ' VAL . 19.7 p90 -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 147.12 27.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' B' ' 412' ' ' PHE . 1.4 m -131.38 167.68 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.33 129.74 37.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -73.46 143.39 46.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -113.1 -2.77 14.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 78.4 m-70 -143.6 170.12 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.654 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -111.0 102.36 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.592 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 2.6 t80 -115.55 115.25 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -81.5 114.0 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.592 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -112.88 116.07 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -120.17 93.3 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.65 -175.19 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -79.66 -12.71 59.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -156.06 41.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.523 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.3 OUTLIER -94.3 162.86 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . 0.473 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.48 112.64 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -76.22 136.81 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.492 HD13 ' CG2' ' B' ' 436' ' ' VAL . 3.3 mm? -128.68 147.65 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.459 ' CD ' ' OD1' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -127.9 130.34 48.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.03 98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.38 49.74 1.52 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.459 ' OD1' ' CD ' ' B' ' 431' ' ' LYS . 3.0 t70 -109.74 173.0 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.78 125.75 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.492 ' CG2' HD13 ' B' ' 430' ' ' LEU . 20.1 t -135.56 148.54 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.601 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.7 122.45 47.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.569 HG22 ' CE2' ' B' ' 412' ' ' PHE . 43.7 t -72.87 111.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.444 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.15 153.58 55.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.18 4.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.591 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 29.3 t70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.25 114.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.34 64.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.605 ' CZ3' ' HD3' ' B' ' 474' ' ' PRO . 1.0 OUTLIER -135.1 160.27 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.88 170.95 16.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 453' ' ' MET . . . . . 0.459 ' CB ' ' HB3' ' B' ' 441' ' ' PHE . 0.1 OUTLIER -86.84 112.83 22.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.471 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -135.65 165.47 24.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' B' ' 459' ' ' ASP . 7.3 p -125.62 143.5 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.93 161.97 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.44 -39.39 79.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -45.44 91.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 76.8 m-20 -59.73 -31.61 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.601 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.07 -48.01 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -67.29 -24.02 65.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' B' ' 464' ' ' LYS . 69.1 mm-40 -82.73 17.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.322 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.05 -23.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.9 tttt -56.59 -30.05 62.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.68 52.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.411 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.4 OUTLIER -61.33 -31.67 71.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.74 -17.78 25.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 8.07 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -104.01 -29.33 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -50.93 142.58 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -158.84 -177.22 31.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 40.0 t -121.3 142.92 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.7 p90 -147.88 149.61 33.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.605 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 115.47 4.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.5 -30.09 68.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -6.15 39.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.1 OUTLIER -111.26 2.22 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.541 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.1 p -127.0 177.21 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -129.92 140.48 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.459 ' HD2' ' CE2' ' B' ' 412' ' ' PHE . 14.6 mtm-85 -80.19 136.83 36.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.19 116.32 60.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.32 37.25 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 130.73 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 p -90.99 158.63 41.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.63 25.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.812 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 91.05 -22.57 28.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 18.9 t80 -35.97 152.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.3 mtt -112.47 -69.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.579 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.4 p90 -160.35 174.22 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.503 ' CD ' HD22 ' B' ' 437' ' ' LEU . 0.0 OUTLIER -96.83 135.59 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.501 ' CB ' ' HA ' ' B' ' 480' ' ' ARG . 3.5 m -121.07 167.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.5 OUTLIER -135.11 134.96 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' B' ' 415' ' ' GLN . . . -78.62 155.21 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 12.3 mt-30 -121.98 -0.25 9.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.591 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 70.8 m-70 -144.67 169.42 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 29.3 p-10 -108.36 105.26 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.52 111.67 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -77.89 113.55 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.573 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.29 117.07 31.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 66.7 p -118.91 93.93 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.8 t0 -141.46 -174.93 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 10.2 t -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -164.7 40.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 1.7 mm-40 -93.38 170.39 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . 0.445 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -127.34 112.98 15.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.22 140.42 40.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.539 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 4.3 mm? -130.64 144.99 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.477 ' CD ' ' HB2' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -129.37 130.07 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.94 99.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.9 42.44 2.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.514 ' OD2' ' CD1' ' B' ' 430' ' ' LEU . 21.2 t70 -106.47 169.1 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.771 . . . . 0.0 109.303 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.433 ' CG2' ' CB ' ' B' ' 457' ' ' GLU . 0.2 OUTLIER -117.46 126.82 74.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.539 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 15.5 t -137.1 136.15 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.64 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -98.73 132.75 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.485 HG23 ' CE1' ' B' ' 412' ' ' PHE . 38.9 t -84.73 110.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.442 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.45 154.31 48.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.532 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.622 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.9 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.45 111.88 6.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.51 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.16 -2.12 61.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.83 140.4 42.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.36 169.84 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.38 112.56 22.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -134.67 170.94 22.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.53 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 14.4 p -131.63 142.49 43.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.08 160.9 28.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.433 ' CB ' ' CG2' ' B' ' 435' ' ' VAL . 4.9 tt0 -58.56 -40.06 82.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -37.48 87.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.53 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 63.3 m-20 -67.14 -32.64 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.64 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.0 t90 -51.42 -47.71 62.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -57.08 -25.78 59.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.1 OUTLIER -91.8 16.82 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . 0.581 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -45.12 -23.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.1 ptmt -57.61 -30.53 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -135.45 49.65 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.4 OUTLIER -59.65 -31.75 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.65 -32.09 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.97 8.56 32.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.6 -18.78 13.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.8 mtt180 -55.06 154.45 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.445 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -164.11 -178.15 37.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.16 143.36 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -151.08 153.14 32.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.609 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.9 -30.33 68.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -67.33 -18.51 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.597 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -99.99 3.66 44.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.571 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -132.65 175.15 9.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . 0.431 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.7 OUTLIER -138.31 128.49 25.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.501 ' HA ' ' CB ' ' B' ' 414' ' ' VAL . 8.8 ptt180 -76.06 141.85 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 11.9 t -98.87 122.35 53.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.567 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 162.86 36.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.67 127.84 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.406 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 65.8 p -93.29 158.07 37.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.48 17.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.18 29.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.42 ' HA3' ' CG ' ' B' ' 440' ' ' PRO . . . 87.69 -19.89 30.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 15.6 t80 -37.13 149.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 0.722 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 411' ' ' MET . . . . . 0.48 ' CE ' HG13 ' B' ' 438' ' ' VAL . 11.5 mtt -107.44 -71.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.565 ' CE1' HG21 ' B' ' 438' ' ' VAL . 19.0 p90 -159.58 -179.78 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' B' ' 414' ' ' VAL . 0.3 OUTLIER -98.69 143.65 28.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' B' ' 438' ' ' VAL . 3.8 m -124.77 165.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 9.6 tp60 -132.89 123.86 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -72.01 144.09 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 7.3 mt-30 -115.88 -4.89 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 76.3 m-70 -138.44 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -111.03 105.75 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.582 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 2.7 t80 -115.89 123.11 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -91.39 113.24 25.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -106.97 117.4 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.3 p -116.88 91.91 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.402 ' H ' ' CG ' ' B' ' 427' ' ' GLU . 2.9 t0 -144.5 -173.65 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 10.39 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.16 52.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.423 ' C ' ' CD ' ' B' ' 427' ' ' GLU . 0.1 OUTLIER -110.0 171.73 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . 0.448 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -122.71 113.16 18.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.43 136.31 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' B' ' 436' ' ' VAL . 4.3 mm? -126.7 141.97 51.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.2 123.93 37.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.92 104.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.03 49.56 2.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.522 ' OD2' ' CD ' ' B' ' 456' ' ' LYS . 6.2 t70 -111.19 170.12 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' B' ' 457' ' ' GLU . 2.0 m -119.98 119.79 61.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' B' ' 456' ' ' LYS . 24.7 t -130.45 149.32 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.572 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -113.04 127.44 56.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' B' ' 412' ' ' PHE . 59.1 t -78.28 115.97 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.45 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -124.43 153.91 69.28 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . 0.42 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.2 Cg_endo -75.01 116.57 4.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.565 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.587 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.9 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 108.05 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.538 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 98.68 -1.62 58.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.609 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.4 OUTLIER -138.12 138.27 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.4 171.1 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 453' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' B' ' 441' ' ' PHE . 0.2 OUTLIER -86.46 112.83 21.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.45 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -134.86 173.11 21.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' B' ' 459' ' ' ASP . 14.5 p -133.4 144.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.522 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.5 mtmp? -81.68 161.31 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.453 ' CB ' HG21 ' B' ' 435' ' ' VAL . 3.6 tt0 -58.1 -42.99 86.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.475 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 1.5 m-20 -63.37 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.572 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.0 t90 -52.08 -47.97 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -53.95 -26.18 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.7 OUTLIER -97.2 17.83 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -45.55 -23.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.611 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.73 -30.19 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -135.21 51.36 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.7 OUTLIER -68.85 -30.13 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -53.01 -32.48 46.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -109.71 8.64 24.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.11 -22.17 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 11.3 mtt180 -51.78 153.18 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.448 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -158.08 -178.61 32.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 9.8 t -122.84 143.19 36.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -149.89 150.2 29.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.609 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -31.49 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.404 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.3 p30 -70.17 -6.58 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -110.55 0.6 17.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.498 HG21 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.03 173.16 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.2 OUTLIER -122.41 145.86 47.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.7 OUTLIER -88.09 126.09 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.33 130.58 24.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.431 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.31 38.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.08 128.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 p -92.95 159.07 36.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . 0.429 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -75.0 135.45 19.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.42 19.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 93.03 -23.71 28.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' B' ' 409' ' ' GLY . 22.8 t80 -36.23 149.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.3 mtt -112.01 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' B' ' 438' ' ' VAL . 30.0 p90 -154.42 -179.57 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 111.05 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.63 152.15 21.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.459 ' CG2' ' HB ' ' B' ' 436' ' ' VAL . 5.0 m -130.56 165.95 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 6.0 tp60 -134.98 123.08 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' B' ' 430' ' ' LEU . . . -70.02 141.77 52.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -113.59 -2.2 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 83.5 m-70 -143.62 169.23 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -111.75 103.88 12.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 2.9 t80 -116.24 125.33 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -87.27 113.17 22.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.604 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.89 116.15 29.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.5 p -120.1 93.76 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.7 t70 -142.61 -175.25 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.6 t -88.58 -4.84 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.33 35.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -93.23 170.65 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . 0.5 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -131.77 113.79 13.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.67 139.9 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.46 ' CD1' ' HB1' ' B' ' 416' ' ' ALA . 3.2 mm? -130.36 140.3 50.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.34 125.01 43.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -32.72 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.58 47.5 2.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.484 ' CG ' ' CE ' ' B' ' 431' ' ' LYS . 8.2 t0 -108.83 170.09 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 13.7 m -119.54 124.24 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.462 HG23 ' CG ' ' B' ' 456' ' ' LYS . 42.7 t -136.13 149.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.639 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -109.76 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' B' ' 412' ' ' PHE . 3.2 t -84.87 113.03 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.405 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.41 153.28 51.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.536 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.2 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.77 112.72 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.65 -5.06 66.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CE3' ' HD3' ' B' ' 474' ' ' PRO . 1.2 m95 -134.01 146.52 50.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -129.43 170.71 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.99 113.37 24.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -135.82 175.85 20.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' B' ' 459' ' ' ASP . 6.6 p -136.67 144.11 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.328 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.462 ' CG ' HG23 ' B' ' 436' ' ' VAL . 1.9 mtmp? -79.73 160.73 26.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 1.9 tt0 -58.09 -42.64 86.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 1.6 t -59.89 -44.13 94.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 82.9 m-20 -59.73 -32.13 70.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.639 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.8 -47.46 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -67.12 -24.91 65.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.444 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -84.52 17.89 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -45.22 -23.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.633 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mmtt -56.89 -30.08 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.14 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.413 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -62.55 -31.48 72.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 4.5 mt-10 -59.08 -17.7 28.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -115.15 8.16 15.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.7 OUTLIER -105.08 -26.87 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.258 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.34 139.52 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.5 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -155.69 -178.77 30.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 54.8 t -120.86 142.77 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -145.74 147.56 33.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.622 ' HD3' ' CE3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' B' ' 452' ' ' LEU . 0.6 OUTLIER -69.09 -31.57 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -70.32 -5.55 28.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -114.16 0.68 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.566 HG22 ' CD1' ' B' ' 477' ' ' PHE . 0.9 OUTLIER -128.16 177.67 6.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.21 145.08 51.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.506 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.9 mtt180 -84.78 137.56 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' B' ' 482' ' ' PRO . 84.6 t -111.52 141.15 23.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . 0.445 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.25 39.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 128.2 35.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.9 p -93.77 157.89 37.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . 0.406 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -74.94 135.07 18.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 144.98 30.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.062 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.48 -21.78 19.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 16.7 t80 -36.74 146.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.9 mtt -108.43 -69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.497 ' CE1' HG21 ' B' ' 438' ' ' VAL . 28.0 p90 -157.92 -179.84 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.418 ' HE3' ' CG1' ' B' ' 435' ' ' VAL . 0.3 OUTLIER -102.76 146.38 28.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' B' ' 436' ' ' VAL . 2.8 m -125.63 167.65 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -134.52 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -73.14 146.78 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -116.76 -2.32 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.2 m-70 -143.21 170.95 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 11.9 p-10 -111.83 102.1 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 3.7 t80 -115.95 118.69 33.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 45.6 m -85.47 113.74 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.8 115.9 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.3 p -120.56 93.65 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.3 t0 -142.05 -175.41 4.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -76.35 -16.25 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.88 43.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.523 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.5 OUTLIER -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.352 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.7 tp -123.4 113.32 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . 0.418 ' O ' ' CD ' ' B' ' 456' ' ' LYS . 3.1 tt0 -77.19 136.96 38.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' B' ' 436' ' ' VAL . 3.6 mm? -128.95 140.28 51.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.25 126.26 46.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.24 98.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.11 48.06 1.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.437 ' CG ' ' CE ' ' B' ' 431' ' ' LYS . 9.8 t0 -109.75 169.0 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 0.7 OUTLIER -120.48 122.19 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' B' ' 414' ' ' VAL . 39.1 t -131.07 148.92 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.621 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -109.88 125.14 52.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' B' ' 412' ' ' PHE . 24.2 t -78.74 110.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.451 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.8 153.72 49.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.03 4.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.539 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.501 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 27.9 t70 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.83 115.43 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.03 -4.49 65.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.057 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 1.1 m95 -134.96 161.48 35.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.67 172.29 14.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 453' ' ' MET . . . . . 0.407 ' CB ' ' HB3' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -86.48 112.94 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.526 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -138.64 174.69 21.91 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.475 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 12.1 p -136.64 140.87 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.448 ' HG3' ' CG2' ' B' ' 436' ' ' VAL . 0.1 OUTLIER -78.19 161.73 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 3.6 tt0 -58.15 -36.33 72.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.04 74.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.475 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 0.9 OUTLIER -60.04 -32.83 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.621 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.1 t90 -51.97 -47.95 64.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -56.0 -25.69 45.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -90.32 17.38 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -45.61 -23.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.576 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mttt -58.1 -31.45 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' B' ' 468' ' ' LYS . 3.2 mttt -142.94 57.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.94 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -54.51 -33.67 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . 0.441 ' CG ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -104.53 8.75 35.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.404 ' SG ' ' OD2' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -113.95 -10.02 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.355 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -55.29 156.57 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -165.22 178.01 40.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 44.4 t -120.62 143.38 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.526 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.1 p90 -141.84 144.97 34.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . 0.404 ' HA ' ' OG1' ' B' ' 478' ' ' THR . 2.3 tt0 -68.04 -27.56 66.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' B' ' 476' ' ' ASN . 0.4 OUTLIER -72.12 -5.66 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -116.6 3.38 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.449 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.6 OUTLIER -128.64 175.87 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.38 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -130.95 141.19 50.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.441 ' HD2' ' CE1' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -80.9 139.71 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 40.0 t -111.5 135.95 21.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.462 1.77 . . . . 0.0 111.006 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.41 37.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.5 128.58 37.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.2 p -92.98 158.57 37.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.91 17.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.61 30.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.26 -22.01 17.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.5 t80 -36.51 147.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.0 mtt -108.1 -70.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.546 ' CE1' HG23 ' B' ' 438' ' ' VAL . 20.5 p90 -157.72 -179.84 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.04 145.29 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.492 ' CG1' HG23 ' B' ' 438' ' ' VAL . 4.5 m -123.98 165.65 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 14.8 tp60 -131.57 122.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -70.88 143.58 50.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.441 ' HB2' ' CD2' ' B' ' 418' ' ' HIS . 7.2 mt-30 -114.21 -4.76 13.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.65 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 16.2 m-70 -140.07 169.83 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 13.9 t0 -112.14 105.92 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.61 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 2.1 t80 -116.27 121.83 43.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -84.42 113.74 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.61 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.46 116.12 29.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 12.8 p -119.6 93.89 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.488 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.1 t70 -142.31 -175.6 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -86.06 -4.92 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -163.83 38.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.14 168.71 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . 0.469 ' CD1' ' HE2' ' B' ' 456' ' ' LYS . 0.0 OUTLIER -124.3 113.58 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -79.91 130.94 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.532 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 2.8 mm? -123.5 139.54 53.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -125.66 125.4 43.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -29.71 103.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.9 45.9 2.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.408 ' CB ' ' HD2' ' B' ' 431' ' ' LYS . 5.1 t0 -107.22 164.68 11.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.434 ' CG2' ' CB ' ' B' ' 457' ' ' GLU . 0.4 OUTLIER -119.96 117.21 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.532 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 47.8 t -126.49 147.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.608 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -109.19 127.63 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.546 HG23 ' CE1' ' B' ' 412' ' ' PHE . 74.0 t -78.55 115.1 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.454 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -121.55 152.2 57.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.598 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 19.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.8 113.25 11.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.7 -4.62 63.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.598 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -134.82 160.91 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.09 172.04 14.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.28 112.58 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.533 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -136.14 175.89 20.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.484 HG21 ' CB ' ' B' ' 459' ' ' ASP . 6.4 p -136.54 139.23 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.469 ' HE2' ' CD1' ' B' ' 428' ' ' LEU . 8.7 mtmt -76.39 160.49 29.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.434 ' CB ' ' CG2' ' B' ' 435' ' ' VAL . 2.9 tt0 -58.92 -40.7 85.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.484 ' CB ' HG21 ' B' ' 455' ' ' VAL . 55.7 m-20 -66.96 -33.74 76.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.608 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.0 t90 -52.68 -47.74 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -56.86 -26.11 57.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 55.5 mm-40 -92.46 17.44 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -45.39 -23.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.598 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -58.3 -32.88 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.92 45.68 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.412 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.3 OUTLIER -54.74 -30.43 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.15 -17.43 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.38 8.51 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -109.89 -26.41 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -49.95 143.38 7.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -164.72 -177.92 37.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 24.5 t -117.01 143.83 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.533 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.7 p90 -146.1 145.75 25.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 113.23 3.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 475' ' ' GLU . 1.4 tt0 -69.81 -27.01 64.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.44 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.3 p30 -74.04 -3.29 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.65 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -116.45 5.36 13.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.576 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.5 p -129.54 174.09 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.45 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . 0.402 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 8.2 tt0 -124.24 148.03 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 134.5 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 26.2 t -107.48 117.53 55.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.55 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.13 33.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -57.93 130.58 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 p -91.01 157.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . 0.419 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.01 135.61 19.28 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 137.72 21.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.01 -23.49 17.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.6 t80 -36.1 147.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -105.75 -70.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.552 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 18.4 p90 -157.4 -179.58 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.417 ' CE ' ' O ' ' B' ' 414' ' ' VAL . 0.2 OUTLIER -99.28 145.82 26.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.417 ' O ' ' CE ' ' B' ' 413' ' ' LYS . 5.4 m -127.23 164.84 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -134.65 122.65 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -69.03 152.93 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -123.81 0.38 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 82.7 m-70 -145.35 169.54 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -110.26 104.33 13.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.625 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.65 104.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -75.47 113.39 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -113.41 119.23 36.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -118.12 93.8 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -143.64 -174.17 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 7.8 t -95.53 1.32 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -165.23 53.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 427' ' ' GLU . 0.1 OUTLIER -118.65 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 6.4 tp -129.95 113.34 14.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -78.15 137.62 38.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.494 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 4.5 mm? -129.79 146.2 51.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -128.74 130.19 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.76 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 102.87 45.91 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.447 ' HB2' ' CD ' ' B' ' 431' ' ' LYS . 27.0 t70 -110.21 170.08 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 0.6 OUTLIER -117.44 128.1 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.494 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 25.4 t -137.57 145.1 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.548 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -107.87 133.33 52.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.513 HG21 ' CE1' ' B' ' 412' ' ' PHE . 6.4 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.46 HD11 ' CA ' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.22 152.87 55.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.511 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.628 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 11.5 t70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 114.03 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.502 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.78 -4.34 63.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.628 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -135.89 158.88 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.487 ' CD2' ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -144.91 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.21 113.83 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.462 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -136.0 177.97 19.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.49 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 7.0 p -138.03 145.21 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -81.49 161.65 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 6.2 tt0 -57.62 -43.13 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.49 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 18.5 m-20 -59.92 -32.79 71.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.548 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.9 t90 -52.34 -47.71 65.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -67.3 -23.84 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.461 ' C ' ' N ' ' B' ' 464' ' ' LYS . 56.4 mm-40 -82.79 17.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.91 -23.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' B' ' 462' ' ' GLN . 7.1 mtmt -56.89 -30.3 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -140.41 53.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -31.84 70.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.09 -17.65 41.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.92 8.07 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.4 ' HB2' ' CG ' ' B' ' 459' ' ' ASP . 0.7 OUTLIER -103.55 -24.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.44 137.61 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -155.2 178.65 31.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . 0.472 HG13 ' N ' ' B' ' 473' ' ' PHE . 74.4 t -122.16 142.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.472 ' N ' HG13 ' B' ' 472' ' ' VAL . 16.3 p90 -147.15 147.5 29.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.582 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 117.21 4.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.86 -30.45 68.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.441 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.18 -5.41 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -112.31 0.44 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.546 HG22 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.29 179.57 5.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -132.17 150.95 52.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 8.1 mtt180 -88.12 131.46 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.47 115.82 60.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.521 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.36 35.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.05 129.86 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.438 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 98.0 p -91.62 156.25 43.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.3 17.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 141.82 27.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.82 -23.02 18.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.3 t80 -35.91 148.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 411' ' ' MET . . . . . 0.471 ' HE1' ' CG1' ' B' ' 438' ' ' VAL . 10.2 mtt -106.22 -71.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.579 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 7.9 p90 -160.15 177.09 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.465 ' HE3' ' CG1' ' B' ' 435' ' ' VAL . 0.0 OUTLIER -93.83 139.39 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' B' ' 436' ' ' VAL . 14.9 m -119.51 167.53 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' B' ' 479' ' ' GLU . 6.5 tp60 -133.88 129.33 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . 0.465 ' CB ' HD23 ' B' ' 430' ' ' LEU . . . -76.76 146.85 37.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -117.5 -0.96 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.7 m-70 -147.15 168.87 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.572 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -107.84 103.87 13.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.624 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 1.7 t80 -113.83 110.35 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -81.02 113.66 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -113.12 117.94 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.2 p -117.99 93.19 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.6 t70 -142.11 -174.94 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 13.6 t -88.18 -0.79 57.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -165.47 36.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -92.53 164.2 13.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 1.9 tp -121.86 113.79 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -83.87 136.73 34.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.465 HD23 ' CB ' ' B' ' 416' ' ' ALA . 0.3 OUTLIER -129.92 151.61 50.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.66 131.28 46.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.39 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.54 44.8 2.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.445 ' OD2' ' CD ' ' B' ' 456' ' ' LYS . 26.7 t70 -109.55 169.91 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.465 ' CG1' ' HE3' ' B' ' 413' ' ' LYS . 1.5 m -117.83 126.85 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.475 ' O ' ' CG2' ' B' ' 414' ' ' VAL . 37.4 t -135.66 143.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.65 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -102.77 133.25 48.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.471 ' CG1' ' HE1' ' B' ' 411' ' ' MET . 7.5 t -87.32 109.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.97 153.3 47.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.17 4.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.514 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.634 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 4.3 t0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.5 OUTLIER -69.76 111.69 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.535 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.19 0.26 61.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.634 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.3 m95 -138.64 147.43 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 172.02 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.37 113.6 23.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.481 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -139.07 172.95 22.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.575 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 9.9 p -136.88 145.68 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.445 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 0.2 OUTLIER -77.98 160.63 28.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.443 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 2.9 tt0 -57.89 -43.6 86.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -37.91 76.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.575 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 25.8 m-20 -66.0 -32.3 73.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.65 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.5 t90 -51.44 -47.06 63.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -57.78 -26.81 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -92.79 16.76 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . 0.533 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -45.85 -23.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.603 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 12.8 tttt -57.85 -30.37 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -131.47 48.81 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 3.7 pp -55.03 -31.51 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.08 -18.86 63.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -115.0 7.29 15.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.0 OUTLIER -112.48 -10.84 13.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -60.25 150.62 29.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -165.14 179.97 39.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.029 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 23.2 t -125.37 142.72 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.481 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 10.9 p90 -149.3 150.26 31.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 115.43 4.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.08 -29.85 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.453 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.4 p30 -71.93 -5.4 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -111.32 2.27 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.549 HG22 ' CD1' ' B' ' 477' ' ' PHE . 2.0 p -128.22 -179.68 5.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 415' ' ' GLN . 5.0 tt0 -131.45 150.01 52.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.447 ' HD2' ' CZ ' ' B' ' 412' ' ' PHE . 11.2 mtm-85 -89.84 133.8 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 40.3 t -111.27 115.92 51.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.47 33.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.48 130.44 46.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.443 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 88.1 p -90.91 157.1 43.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 133.57 16.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 144.27 29.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.04 -23.95 12.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' B' ' 409' ' ' GLY . 19.5 t80 -35.83 147.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.7 mtt -110.06 -69.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.425 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 18.3 p90 -157.17 -179.5 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' B' ' 414' ' ' VAL . 0.1 OUTLIER -100.27 147.45 25.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 436' ' ' VAL . 11.2 m -125.29 167.43 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -133.12 123.18 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -71.99 145.14 48.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.39 3.15 13.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.4 m-70 -148.13 169.53 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.32 100.43 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.625 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -113.07 117.97 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.78 114.67 21.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -110.76 116.33 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 20.2 p -119.8 94.03 4.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.496 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 8.9 t -85.54 -5.44 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -163.69 38.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.496 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.58 170.83 9.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . 0.469 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -130.38 113.49 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -79.44 141.18 37.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.501 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 3.5 mm? -127.44 154.65 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -131.69 127.85 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' B' ' 418' ' ' HIS . . . -39.27 96.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.88 33.06 4.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' B' ' 431' ' ' LYS . 10.1 t70 -96.2 169.99 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.431 HG12 ' CE ' ' B' ' 413' ' ' LYS . 0.6 OUTLIER -115.41 127.13 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 3.3 t -135.34 143.92 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.621 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -103.44 130.74 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.409 HG21 ' CE1' ' B' ' 412' ' ' PHE . 3.2 t -85.49 109.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.05 153.29 48.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.55 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.9 t70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.99 113.91 8.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.57 -3.89 63.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.615 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.0 159.42 41.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.17 172.01 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.39 113.5 23.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -139.6 176.51 21.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.542 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 12.7 p -138.28 144.84 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.419 ' HG2' ' CG2' ' B' ' 436' ' ' VAL . 0.5 OUTLIER -78.71 160.49 27.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.43 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 3.7 tt0 -58.68 -43.27 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -36.64 80.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.542 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 61.1 m-20 -65.58 -33.37 75.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.621 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.46 -47.67 66.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -56.49 -26.26 53.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' B' ' 464' ' ' LYS . 1.5 mp0 -94.48 17.59 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . 0.516 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.2 OUTLIER -45.55 -24.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.571 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.3 mtpt -58.26 -30.74 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . 0.42 ' HB3' ' CD ' ' B' ' 468' ' ' LYS . 0.7 OUTLIER -135.61 48.23 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' B' ' 469' ' ' CYS . 0.1 OUTLIER -69.47 -29.45 67.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' B' ' 470' ' ' ARG . 5.3 mt-10 -53.55 -35.64 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . 0.42 ' CD ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -106.05 9.11 32.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.403 ' CB ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -106.11 -18.66 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . 0.421 ' NH1' ' HA ' ' B' ' 467' ' ' GLU . 3.4 mtm-85 -51.06 153.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.469 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -162.91 -177.37 35.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 14.1 t -125.37 143.24 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.445 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 13.8 p90 -145.55 149.66 41.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.598 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -69.74 -29.65 67.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.446 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -72.61 -4.48 31.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -112.53 1.79 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.579 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -128.93 -179.89 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -131.48 143.96 50.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.33 135.92 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' B' ' 482' ' ' PRO . 17.4 t -104.66 139.82 20.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . 0.442 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.456 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.82 38.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.31 128.47 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -93.03 159.1 36.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 135.16 18.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.42 31.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.05 -18.63 30.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.82 150.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 411' ' ' MET . . . . . 0.461 ' HE1' ' CG1' ' B' ' 438' ' ' VAL . 11.3 mtt -108.28 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.577 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.1 p90 -159.04 -179.77 8.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' B' ' 414' ' ' VAL . 0.0 OUTLIER -99.92 133.31 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.498 ' N ' ' HD2' ' B' ' 413' ' ' LYS . 1.4 m -114.38 166.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.45 ' HB2' ' CG2' ' B' ' 481' ' ' VAL . 13.7 tp60 -132.33 124.94 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -70.57 147.78 48.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -119.02 -6.01 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.7 m-70 -141.64 169.08 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 9.7 p-10 -107.69 106.34 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 1.8 t80 -114.8 111.83 21.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -84.12 113.88 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -111.24 116.7 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 43.6 p -117.63 91.69 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.19 -173.51 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.5 t -94.46 14.1 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 t70 179.29 60.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.47 ' C ' ' CD ' ' B' ' 427' ' ' GLU . 0.0 OUTLIER -125.06 170.94 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . 0.476 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.69 113.5 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . 0.498 ' O ' ' CD ' ' B' ' 456' ' ' LYS . 5.2 tt0 -80.44 132.87 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' B' ' 436' ' ' VAL . 0.3 OUTLIER -125.29 144.27 50.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.4 131.08 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.25 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.21 48.94 1.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.408 ' O ' ' NE2' ' B' ' 415' ' ' GLN . 10.8 t0 -110.95 172.64 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.466 ' CG1' ' HE2' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -120.54 123.39 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' B' ' 430' ' ' LEU . 22.0 t -133.6 149.12 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.619 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -111.82 125.16 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' B' ' 412' ' ' PHE . 11.8 t -77.21 110.59 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.421 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 152.82 53.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.581 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 12.1 t70 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 108.19 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.526 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.82 0.31 59.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.599 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.7 OUTLIER -138.62 143.46 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.8 171.77 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.72 113.04 22.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.481 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -137.31 165.92 25.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.494 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 14.4 p -127.67 144.85 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.325 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' B' ' 429' ' ' GLN . 0.5 OUTLIER -80.86 162.89 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.454 ' CB ' HG21 ' B' ' 435' ' ' VAL . 5.5 tt0 -57.86 -39.1 76.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -46.74 77.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.494 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 7.2 m-20 -59.98 -32.7 71.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.619 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.8 t90 -51.8 -47.81 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -55.44 -26.79 44.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.44 16.62 13.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -45.83 -23.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.556 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 6.2 pttt -58.26 -31.19 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 43.15 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.33 -31.14 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.79 -22.58 47.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.63 7.38 14.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.84 -13.27 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 7.2 mtt180 -57.29 151.06 16.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.476 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -160.56 -178.19 34.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 5.2 t -125.79 143.2 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.481 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 9.5 p90 -149.8 150.06 29.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.598 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.93 119.82 5.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.96 -34.59 75.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.409 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.7 p30 -69.66 -6.26 30.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.579 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.2 OUTLIER -108.54 2.32 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 478' ' ' THR . . . . . . . . . . . . . 1.2 p -128.35 -179.8 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.458 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -131.83 150.66 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.436 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 7.3 mtm-85 -88.18 126.53 35.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' B' ' 415' ' ' GLN . 22.0 t -105.06 138.52 19.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.541 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.73 34.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 130.19 45.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.5 p -91.47 157.3 42.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.011 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 134.53 17.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.16 26.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.55 -22.3 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 9.1 t80 -36.24 147.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 411' ' ' MET . . . . . 0.451 ' CE ' HG12 ' B' ' 438' ' ' VAL . 11.5 mtt -103.76 -73.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.577 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.4 p90 -158.22 179.4 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.468 ' HE3' ' CG1' ' B' ' 435' ' ' VAL . 0.0 OUTLIER -96.47 140.3 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' B' ' 436' ' ' VAL . 16.3 m -120.92 166.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 7.8 tp60 -134.71 127.38 30.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -75.48 141.36 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 8.0 mt-30 -112.89 -6.4 13.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.63 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 19.9 m-70 -138.5 168.34 19.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.584 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 5.2 p-10 -109.34 105.87 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 3.6 t80 -116.36 124.08 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -92.46 116.71 29.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.26 116.48 30.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 34.4 p -118.24 91.2 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -144.45 -173.96 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 425' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' B' ' 426' ' ' ASP . 9.5 t -94.81 13.94 23.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 425' ' ' THR . 13.3 m-20 -179.55 59.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.449 ' C ' ' CD ' ' B' ' 427' ' ' GLU . 0.0 OUTLIER -124.48 171.57 9.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . 0.476 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -128.07 113.27 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -76.09 134.76 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -123.55 141.38 52.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.67 126.73 46.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.08 102.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.35 48.54 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.459 ' OD2' ' CE ' ' B' ' 431' ' ' LYS . 6.7 t0 -110.46 171.62 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 0.0 OUTLIER -119.8 119.29 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' B' ' 414' ' ' VAL . 14.8 t -129.65 144.02 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.577 HD12 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -106.12 133.39 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' B' ' 412' ' ' PHE . 48.9 t -86.28 110.25 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.446 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.78 153.69 48.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.53 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.621 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.2 t70 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.97 113.17 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.4 -3.34 63.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.621 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.5 157.09 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.59 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.34 113.82 23.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.46 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -141.22 169.17 25.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.551 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 2.3 p -129.97 146.47 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -78.87 163.16 25.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 2.6 tt0 -58.06 -43.24 86.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -39.39 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.551 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 29.4 m-20 -65.2 -32.43 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.577 ' CE3' HD12 ' B' ' 437' ' ' LEU . 3.7 t90 -52.56 -47.3 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -62.96 -24.73 68.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 36.8 mm-40 -86.84 17.73 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -45.21 -24.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.598 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.99 -30.68 66.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -139.72 52.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.95 -18.81 59.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -114.46 6.36 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.66 -15.22 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -56.81 152.78 11.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.476 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -167.01 -179.62 40.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 37.3 t -121.55 143.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.737 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.46 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.1 p90 -146.76 148.69 34.03 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.8 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' B' ' 475' ' ' GLU . 1.1 tt0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.445 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.15 -4.94 32.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.63 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -114.66 2.22 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.55 HG21 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -127.33 175.97 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 2.3 tt0 -128.86 151.3 49.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.444 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.1 mtm180 -89.78 131.01 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.02 115.81 62.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.73 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.78 130.45 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.435 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 79.4 p -90.83 157.11 44.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.21 17.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.556 1.819 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.8 29.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.41 -21.17 22.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 8.1 t80 -35.83 146.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -105.57 -72.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.56 ' CE1' HG23 ' B' ' 438' ' ' VAL . 19.6 p90 -153.4 -179.99 8.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.422 ' HE3' ' CG1' ' B' ' 435' ' ' VAL . 0.0 OUTLIER -103.47 135.83 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' B' ' 436' ' ' VAL . 3.7 m -119.44 168.25 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' B' ' 479' ' ' GLU . 2.0 tp60 -133.7 131.19 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . 0.448 ' CB ' HD13 ' B' ' 430' ' ' LEU . . . -75.53 144.7 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.12 -0.89 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.1 m-70 -144.79 170.07 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 7.9 p-10 -112.08 103.13 11.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.621 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 3.1 t80 -116.34 116.92 28.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -82.25 113.03 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.621 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -113.19 116.85 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.9 p -119.47 94.23 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.507 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.6 t0 -142.16 -174.97 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.5 t -89.22 -0.94 57.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.17 32.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.507 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -91.84 170.56 9.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' B' ' 456' ' ' LYS . 0.1 OUTLIER -132.37 113.27 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' B' ' 456' ' ' LYS . 3.6 tt0 -76.25 135.82 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.481 ' CD1' HG21 ' B' ' 436' ' ' VAL . 2.7 mm? -125.74 146.62 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.21 126.13 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.17 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.02 50.55 1.24 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.447 ' HB3' ' CD1' ' B' ' 430' ' ' LEU . 10.7 t0 -112.91 172.61 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' B' ' 457' ' ' GLU . 0.0 OUTLIER -120.6 120.88 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' B' ' 430' ' ' LEU . 39.5 t -131.53 137.52 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.568 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -103.25 123.65 47.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' B' ' 412' ' ' PHE . 15.9 t -74.26 110.44 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.476 HD13 ' CA ' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.74 153.16 46.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.81 4.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.809 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.559 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.5 t0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.64 111.72 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.52 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.47 -2.17 60.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.587 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.9 OUTLIER -137.18 154.72 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.34 172.17 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.99 113.61 22.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.476 ' CA ' HD13 ' B' ' 439' ' ' ILE . . . -136.87 172.02 22.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.55 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 7.7 p -135.41 139.09 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . 0.473 ' HD3' ' CD1' ' B' ' 428' ' ' LEU . 1.1 mtpm? -75.46 162.1 28.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.475 ' CB ' HG22 ' B' ' 435' ' ' VAL . 4.4 tt0 -59.83 -40.33 88.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -37.64 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.55 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 45.6 m-20 -68.63 -33.1 73.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.568 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.3 t90 -51.87 -49.57 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -54.61 -26.35 32.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.467 ' C ' ' N ' ' B' ' 464' ' ' LYS . 1.9 mp0 -104.55 19.72 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' B' ' 463' ' ' HIS . 0.2 OUTLIER -45.43 -22.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.467 ' N ' ' C ' ' B' ' 462' ' ' GLN . 3.5 tttt -57.44 -30.78 65.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -126.26 45.13 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.53 -36.98 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.46 -17.13 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -115.11 3.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.97 -19.21 11.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.9 mtm180 -52.46 152.3 3.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -166.17 179.75 40.08 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 71.9 t -121.33 142.59 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.464 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 11.7 p90 -147.01 149.39 35.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.83 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . 0.417 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -71.27 -5.64 33.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -111.3 1.91 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.499 HG22 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.63 179.47 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 415' ' ' GLN . 2.3 tt0 -129.59 145.57 51.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.09 131.23 34.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.14 118.48 52.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 162.04 37.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 128.05 35.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.9 p -93.88 156.8 38.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 133.79 17.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.54 30.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.28 -22.09 17.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 410' ' ' PHE . . . . . 0.508 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 17.3 t80 -35.91 150.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.773 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.2 mtt -110.64 -71.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.517 ' CE1' HG22 ' B' ' 438' ' ' VAL . 16.1 p90 -157.2 179.7 9.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 413' ' ' LYS . . . . . 0.491 ' HE3' ' CG1' ' B' ' 435' ' ' VAL . 0.0 OUTLIER -102.54 137.85 40.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 414' ' ' VAL . . . . . 0.473 HG13 ' CG2' ' B' ' 438' ' ' VAL . 0.9 OUTLIER -116.87 167.2 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -133.87 118.9 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.5 149.79 49.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 10.1 mt-30 -119.73 -0.21 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.501 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.6 m-70 -145.85 170.22 16.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.16 . . . . 0.0 109.61 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 419' ' ' ASP . . . . . 0.412 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 0.0 OUTLIER -111.25 103.27 11.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.605 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.4 t80 -116.19 109.62 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.9 113.91 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 422' ' ' ALA . . . . . 0.605 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.58 117.35 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 40.7 p -119.7 94.87 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 424' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t70 -140.86 -175.42 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.3 t -82.8 -9.67 59.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -161.86 44.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.495 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.6 OUTLIER -95.57 170.26 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 3.9 tp -126.87 113.1 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -77.66 136.99 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 430' ' ' LEU . . . . . 0.53 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 4.4 mm? -129.18 141.92 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.8 132.09 53.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 432' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -38.27 97.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.95 45.97 1.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 434' ' ' ASP . . . . . 0.476 ' OD2' ' CD1' ' B' ' 430' ' ' LEU . 18.9 t70 -108.78 169.52 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 435' ' ' VAL . . . . . 0.491 ' CG1' ' HE3' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -118.53 121.33 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 436' ' ' VAL . . . . . 0.53 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 3.2 t -130.45 139.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 437' ' ' LEU . . . . . 0.58 HD11 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -101.19 133.68 45.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 438' ' ' VAL . . . . . 0.517 HG22 ' CE1' ' B' ' 412' ' ' PHE . 49.7 t -86.9 110.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 439' ' ' ILE . . . . . 0.462 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.99 153.94 48.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 441' ' ' PHE . . . . . 0.543 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 448' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' B' ' 451' ' ' TRP . 30.5 t70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 449' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' B' ' 449' ' ' GLU . 5.1 pt-20 -68.88 117.84 11.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 450' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 94.64 -4.15 68.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 451' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' B' ' 474' ' ' PRO . 1.3 m95 -136.59 161.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.43 169.87 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 453' ' ' MET . . . . . 0.401 ' CE ' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.22 113.0 21.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 454' ' ' GLY . . . . . 0.462 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -137.25 178.08 19.29 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 455' ' ' VAL . . . . . 0.485 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 3.9 p -138.44 145.48 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -79.74 159.74 26.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 457' ' ' GLU . . . . . 0.457 ' CB ' HG21 ' B' ' 435' ' ' VAL . 2.0 tt0 -57.91 -44.39 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -36.74 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . 0.485 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 71.8 m-20 -68.1 -33.22 74.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 460' ' ' TRP . . . . . 0.58 ' CE3' HD11 ' B' ' 437' ' ' LEU . 4.1 t90 -52.52 -47.33 66.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -59.82 -26.61 65.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 462' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.4 OUTLIER -93.24 17.22 11.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -45.34 -24.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' B' ' 462' ' ' GLN . 4.2 pttt -57.96 -30.6 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.96 39.37 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -30.54 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.27 -18.92 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 9.04 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.13 -21.66 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.53 127.15 17.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 471' ' ' GLY . . . . . 0.401 ' O ' ' CE ' ' B' ' 453' ' ' MET . . . -150.55 -177.57 24.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.478 1.112 . . . . 0.0 111.009 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 39.9 t -118.48 149.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 473' ' ' PHE . . . . . 0.421 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 27.4 p90 -150.84 145.54 18.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 474' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 112.54 3.58 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 475' ' ' GLU . . . . . 0.412 ' HA ' ' OG1' ' B' ' 478' ' ' THR . 1.3 tt0 -68.32 -28.51 67.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.85 -6.57 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 477' ' ' PHE . . . . . 0.579 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -113.5 2.2 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 478' ' ' THR . . . . . 0.465 HG21 ' CD1' ' B' ' 477' ' ' PHE . 0.7 OUTLIER -128.04 177.16 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 479' ' ' GLU . . . . . 0.411 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.7 OUTLIER -134.07 146.69 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.255 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 480' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 0.3 OUTLIER -84.27 137.4 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.73 118.48 48.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.882 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 1.5 mp -79.74 121.05 81.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.15 10.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -67.38 133.48 93.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.381 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.431 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.0 171.78 17.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.6 38.58 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 129.18 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.9 p -92.79 158.07 38.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' NE ' ' A' ' 65' ' ' ARG . 18.4 Cg_endo -74.96 172.18 16.85 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.7 p -72.36 91.46 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 446' ' ' GLU . 0.5 OUTLIER -79.96 84.45 5.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -79.96 106.23 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 m -72.76 86.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -71.41 -172.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' B' ' 405' ' ' ASP . 0.7 OUTLIER -123.58 -41.76 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.421 ' N ' ' HG ' ' B' ' 404' ' ' LEU . 4.7 m-20 -108.72 154.2 22.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.27 159.66 53.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.42 16.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 143.26 28.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.83 -22.59 20.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.97 146.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.8 mtt -106.94 -71.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 23.8 p90 -156.59 -179.41 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.53 146.61 27.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.446 ' CG1' HG21 ' B' ' 438' ' ' VAL . 2.2 m -129.42 167.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -134.39 130.89 37.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -75.22 155.5 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.433 ' NE2' HD21 ' A' ' 56' ' ' LEU . 9.6 mt-30 -125.59 1.15 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.0 m-70 -144.93 170.02 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -111.75 101.37 9.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.612 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 1.7 t80 -115.69 107.35 14.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.6 m -75.72 113.79 13.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.612 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -112.49 117.52 32.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -118.27 94.92 4.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 3.5 t0 -142.29 -174.81 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.0 t -86.66 -5.07 59.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.74 37.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.492 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.7 mm-40 -92.71 168.86 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . 0.472 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -125.97 113.92 17.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -79.45 133.52 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' B' ' 436' ' ' VAL . 3.4 mm? -125.31 143.43 50.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -128.21 124.35 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.506 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -31.69 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 97.02 52.05 1.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.518 ' OD2' ' CD ' ' B' ' 456' ' ' LYS . 5.9 t70 -113.3 169.89 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 6.7 m -120.28 126.43 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' B' ' 430' ' ' LEU . 78.9 t -136.54 150.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.606 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.74 128.63 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.446 HG21 ' CG1' ' B' ' 414' ' ' VAL . 18.7 t -79.01 120.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.454 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -125.05 154.4 71.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . 0.403 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 115.78 4.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -58.0 -179.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -81.79 -5.0 57.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 172.73 150.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.6 20.26 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.76 -23.18 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 2.4 mm-40 -85.44 -29.54 24.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.589 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 7.9 tt0 -55.13 131.11 44.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.3 t70 -89.03 155.56 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' B' ' 449' ' ' GLU . 6.9 pt-20 -74.74 111.14 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -5.72 64.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.615 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.6 OUTLIER -134.53 145.93 49.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.45 171.98 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.36 112.82 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.454 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -136.67 165.71 24.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.527 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 9.5 p -127.38 143.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.4 mtmp? -79.14 161.24 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.482 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 2.2 tt0 -57.8 -41.37 82.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.18 98.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.527 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 71.1 m-20 -62.06 -33.2 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.606 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.8 t90 -52.45 -47.7 66.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -58.06 -26.28 62.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.417 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.16 17.86 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -24.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' B' ' 462' ' ' GLN . 9.9 mmtt -58.33 -30.89 67.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -134.16 41.98 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.64 -31.48 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -60.21 -19.38 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.18 7.48 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 -10.23 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -62.45 155.06 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.472 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -167.13 -179.52 40.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.437 HG23 ' CB ' ' A' ' 65' ' ' ARG . 18.5 t -121.93 144.52 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.765 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -148.04 150.06 34.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.606 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.04 117.27 4.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' B' ' 475' ' ' GLU . 1.8 tt0 -69.41 -28.72 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.2 -5.73 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' B' ' 478' ' ' THR . 0.0 OUTLIER -110.53 0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.583 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.3 p -127.34 176.94 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . 0.426 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 3.4 tt0 -129.5 143.33 50.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.552 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 4.2 mtt180 -79.58 141.74 36.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 21.7 t -119.71 119.57 31.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.943 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.444 ' HB2' ' NE2' ' B' ' 418' ' ' HIS . 9.2 mp -79.67 121.58 82.64 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.74 10.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 t -65.76 132.21 94.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.457 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.96 171.13 18.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.98 37.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.0 128.89 39.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.2 p -92.13 157.59 40.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.31 16.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.542 1.811 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.7 p -72.89 82.46 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.028 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.514 ' CZ ' ' CG2' ' B' ' 472' ' ' VAL . 43.0 mtp180 -79.0 86.82 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.311 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.17 112.89 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.482 ' CA ' ' OE1' ' B' ' 442' ' ' GLN . 1.2 t -67.79 -58.15 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -68.7 176.38 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.268 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.33 -36.56 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.54 155.1 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 160.05 47.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.401 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -74.96 134.18 17.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.428 1.752 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 143.04 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.74 -23.25 17.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.467 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.9 t80 -36.14 146.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.9 mtt -106.79 -71.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.574 ' CE1' HG22 ' B' ' 438' ' ' VAL . 23.8 p90 -156.79 179.95 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.39 146.56 25.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.455 HG12 ' CG2' ' B' ' 438' ' ' VAL . 10.5 m -124.69 166.36 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 23.8 tp60 -134.41 119.62 18.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.53 149.45 50.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -121.56 -0.06 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.583 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 80.1 m-70 -147.65 168.94 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -109.1 105.27 14.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.615 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 1.8 t80 -115.87 109.5 17.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -77.36 112.98 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.615 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -112.93 117.91 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.7 p -118.35 93.96 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.454 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 7.4 t0 -141.9 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -89.09 2.49 54.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -168.56 35.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.454 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.34 170.81 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 5.7 tp -129.12 114.17 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -80.96 131.03 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.251 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.458 ' CD1' HG23 ' B' ' 436' ' ' VAL . 4.2 mm? -121.89 140.24 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.9 128.8 51.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.34 102.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.57 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.426 ' CG ' ' CE ' ' B' ' 431' ' ' LYS . 8.5 t0 -109.87 167.56 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.415 HG23 ' CB ' ' B' ' 457' ' ' GLU . 4.8 m -119.08 119.9 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.458 HG23 ' CD1' ' B' ' 430' ' ' LEU . 20.7 t -129.32 149.96 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.658 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -110.04 124.94 52.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.574 HG22 ' CE1' ' B' ' 412' ' ' PHE . 43.8 t -77.18 113.98 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.451 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 153.88 54.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -57.24 -178.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.482 ' OE1' ' CA ' ' A' ' 67' ' ' SER . 1.8 pm0 -81.76 -3.9 54.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.36 150.0 0.18 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -20.92 16.35 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -22.96 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.45 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 21.2 mm-40 -88.58 -18.67 27.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.0 tt0 -64.94 148.4 51.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.2 t0 -106.27 153.51 22.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.3 OUTLIER -74.22 111.07 9.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.1 -4.13 62.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.606 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -134.85 149.66 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.88 172.36 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 453' ' ' MET . . . . . 0.406 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.3 OUTLIER -90.45 112.49 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.039 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.451 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -134.12 175.4 20.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' B' ' 459' ' ' ASP . 7.1 p -138.02 143.58 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.45 ' CG ' HG21 ' B' ' 436' ' ' VAL . 2.9 mtmp? -79.05 160.05 27.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.415 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.7 tt0 -58.36 -42.78 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -41.75 94.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' B' ' 455' ' ' VAL . 11.3 m-20 -64.37 -31.91 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.658 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.8 t90 -51.23 -47.54 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . 0.401 ' HB2' ' NE2' ' B' ' 462' ' ' GLN . 41.2 m-80 -54.21 -25.95 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.447 ' C ' ' N ' ' B' ' 464' ' ' LYS . 35.7 mm-40 -93.22 17.36 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' B' ' 460' ' ' TRP . 8.8 t60 -45.45 -22.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.9 OUTLIER -57.72 -30.17 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.07 45.83 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.2 OUTLIER -54.32 -32.65 57.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . 0.413 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 5.4 mt-10 -62.06 -17.38 57.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 6.26 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.401 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -114.84 -9.02 12.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 4.1 mtm180 -59.42 149.54 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.406 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -160.1 171.97 36.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.514 ' CG2' ' CZ ' ' A' ' 65' ' ' ARG . 37.9 t -119.77 142.88 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -149.58 151.95 34.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.93 -29.23 67.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.77 -5.91 37.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -111.3 3.41 18.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.557 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.4 p -130.26 -179.33 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 149.8 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -88.44 140.67 29.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 49.0 t -116.83 127.52 26.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.458 1.768 . . . . 0.0 111.022 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.57 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -98.41 120.5 59.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.69 10.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 1.5 t -66.59 133.69 94.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 58' ' ' THR . 18.4 Cg_endo -75.0 169.36 22.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.05 36.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 130.0 44.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 93.2 p -91.12 156.96 43.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -71.62 89.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.548 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 15.1 mtp180 -78.3 86.28 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 109.02 15.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 t -96.37 90.62 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.972 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.607 ' HE ' ' N ' ' B' ' 403' ' ' ARG . 0.0 OUTLIER -66.1 -175.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.28 -40.92 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -112.93 153.97 27.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.95 160.03 61.61 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.45 16.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.88 28.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.63 -22.95 18.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.47 149.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 0.797 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 411' ' ' MET . . . . . 0.421 ' HE1' ' CG1' ' B' ' 438' ' ' VAL . 9.8 mtt -110.74 -71.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.557 ' CE1' HG23 ' B' ' 438' ' ' VAL . 21.1 p90 -158.56 -179.87 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 145.42 27.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.434 ' CG2' ' HB ' ' B' ' 436' ' ' VAL . 9.6 m -123.92 166.63 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 19.5 tp60 -133.49 119.69 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.58 150.94 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.415 ' NE2' HD21 ' A' ' 56' ' ' LEU . 8.9 mt-30 -121.87 -0.51 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.581 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.9 m-70 -145.97 169.43 18.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 8.0 p-10 -110.29 102.77 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 1.4 t80 -113.61 106.46 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 6.4 m -76.1 113.57 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.387 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.602 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.76 118.33 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 58.6 p -117.91 94.79 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.41 -175.22 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 15.3 t -86.35 0.88 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -171.55 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.462 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.1 mm-40 -91.94 169.5 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 6.4 tp -124.11 113.55 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . 0.518 ' O ' ' CE ' ' B' ' 456' ' ' LYS . 3.3 tt0 -82.39 132.53 35.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -125.02 138.72 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.0 128.5 52.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.01 101.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.39 47.89 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.415 ' O ' ' NE2' ' B' ' 415' ' ' GLN . 29.4 t0 -111.86 169.18 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 1.3 m -118.92 126.06 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' B' ' 430' ' ' LEU . 25.1 t -134.95 146.54 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.574 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -107.08 127.28 53.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' B' ' 412' ' ' PHE . 42.7 t -79.72 110.54 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.459 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.31 154.14 48.78 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 116.19 4.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.51 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.17 -172.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.55 -16.84 31.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.44 148.28 1.25 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -21.23 16.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -66.65 -29.73 69.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.548 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 4.7 mm-40 -83.39 -24.42 31.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 65' ' ' ARG . 3.8 tt0 -56.91 139.8 50.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.619 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 9.4 t0 -98.69 148.09 24.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' B' ' 449' ' ' GLU . 5.4 pt-20 -71.53 113.7 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.0 -4.28 62.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.619 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.7 OUTLIER -135.46 152.39 51.32 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.86 170.9 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.14 113.01 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.459 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -135.46 168.44 23.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.574 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 9.9 p -130.99 144.94 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CE ' ' O ' ' B' ' 429' ' ' GLN . 0.1 OUTLIER -78.04 159.53 28.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -58.04 -37.74 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.96 96.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.574 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 20.9 m-20 -61.09 -33.34 73.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.574 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.14 -47.23 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.051 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -56.07 -26.2 48.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.6 OUTLIER -98.81 17.01 20.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -45.78 -23.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.7 tttp -57.97 -30.88 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -131.62 46.19 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.73 -30.44 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.11 -17.8 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -115.65 7.48 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 16.4 m -109.76 -23.64 11.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.256 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -50.83 130.83 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -145.81 -177.85 20.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.469 HG21 ' NH1' ' A' ' 65' ' ' ARG . 9.4 t -128.05 143.01 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -151.34 152.24 30.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.594 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 117.77 5.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.75 -30.8 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.16 -6.36 38.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -109.4 1.74 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.562 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.33 179.44 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -131.69 146.58 52.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 134.36 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' B' ' 482' ' ' PRO . 57.6 t -106.05 137.47 19.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 481' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -88.91 115.88 64.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.04 21.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -66.96 131.38 93.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 171.06 19.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.33 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 129.29 41.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -92.09 158.12 39.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 172.02 17.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.42 83.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.517 ' CZ ' ' CG2' ' B' ' 472' ' ' VAL . 33.7 mtp180 -79.3 102.95 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.3 109.93 20.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.95 113.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.523 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -66.03 -171.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.75 -42.96 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.08 154.9 22.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.5 159.63 55.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.72 16.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.68 30.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.12 -22.17 16.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.39 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 411' ' ' MET . . . . . 0.451 ' CE ' HG13 ' B' ' 438' ' ' VAL . 10.2 mtt -107.97 -71.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' B' ' 438' ' ' VAL . 18.6 p90 -159.48 179.76 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.2 143.81 29.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.495 ' CG1' ' CG2' ' B' ' 438' ' ' VAL . 4.3 m -122.72 167.1 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 20.0 tp60 -133.35 118.66 18.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.36 148.45 51.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -119.31 -1.54 10.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.599 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 72.6 m-70 -143.92 169.34 17.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . 0.403 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 0.0 OUTLIER -110.5 101.99 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.5 t80 -115.57 113.6 23.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 7.7 m -80.3 113.57 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.604 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.51 116.46 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 26.6 p -120.16 93.53 4.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.503 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.5 t0 -142.33 -175.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 425' ' ' THR . . . . . 0.407 ' O ' ' OD1' ' B' ' 426' ' ' ASP . 9.9 t -78.94 -14.94 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 425' ' ' THR . 1.0 OUTLIER -153.69 39.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.503 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.0 OUTLIER -91.68 163.27 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 5.9 tp -125.98 113.01 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -76.24 137.09 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.492 ' CD1' ' OD2' ' B' ' 434' ' ' ASP . 4.5 mm? -129.95 141.88 50.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -123.83 132.23 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -39.02 97.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.22 45.84 1.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.492 ' OD2' ' CD1' ' B' ' 430' ' ' LEU . 20.2 t70 -108.16 169.45 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 2.7 m -118.56 128.02 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 54.5 t -137.0 149.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.613 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.18 127.5 55.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' B' ' 412' ' ' PHE . 28.2 t -78.85 115.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.449 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -122.13 153.67 61.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . 0.407 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.12 4.49 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.51 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -57.65 -173.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.444 ' OE1' ' NH2' ' B' ' 470' ' ' ARG . 0.0 OUTLIER -83.74 -29.72 27.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' B' ' 442' ' ' GLN . 4.5 m120 -159.3 145.86 12.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -19.13 18.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -24.66 62.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.476 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 2.8 mm-40 -86.72 -16.29 36.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 65' ' ' ARG . 7.0 tt0 -62.11 146.97 48.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.614 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.0 t0 -107.32 148.19 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.41 113.33 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -3.25 62.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.614 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.0 OUTLIER -136.14 151.61 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.29 170.65 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.22 113.19 22.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.449 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -134.15 174.98 20.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.527 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 11.6 p -136.53 143.55 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.462 ' CG ' HG21 ' B' ' 436' ' ' VAL . 0.5 OUTLIER -80.24 160.61 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.9 -41.64 83.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -35.53 80.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.527 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 87.1 m-20 -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.613 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -51.94 -47.83 64.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.19 -26.07 36.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.95 16.72 13.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -45.75 -23.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' B' ' 462' ' ' GLN . 13.6 pttt -58.15 -29.8 65.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -133.16 43.46 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -55.1 -31.7 61.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.15 -21.26 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.15 7.45 15.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 -23.12 11.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' B' ' 442' ' ' GLN . 2.3 mtt180 -50.62 151.0 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.45 -179.72 35.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.517 ' CG2' ' CZ ' ' A' ' 65' ' ' ARG . 51.7 t -123.6 142.99 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -151.09 152.19 30.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.614 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 115.58 4.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.98 -31.58 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.2 OUTLIER -69.01 -8.03 41.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.599 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -108.23 1.31 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 111.014 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.565 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -127.25 174.84 8.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.74 147.12 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -85.74 136.23 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' B' ' 482' ' ' PRO . 23.0 t -107.18 140.35 21.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . 0.453 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -79.66 122.46 83.64 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.22 15.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 30.9 p -67.16 133.97 93.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 172.67 15.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 111.002 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.94 38.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.76 130.38 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 p -92.13 158.19 39.7 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.011 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.35 16.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.87 82.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.531 ' CZ ' ' CG2' ' B' ' 472' ' ' VAL . 40.0 mtp180 -78.74 88.84 4.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.84 119.31 24.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.69 113.94 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.598 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -57.37 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 0.72 . . . . 0.0 110.261 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.96 -46.23 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -116.74 155.42 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.93 160.08 61.53 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.127 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.408 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.0 134.83 18.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 143.13 28.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.02 -22.48 22.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.09 146.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -105.72 -71.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.535 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 15.8 p90 -160.28 179.55 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.5 145.17 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . . . . . . . . . 2.9 m -125.42 166.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -133.9 121.53 21.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -68.88 151.95 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.482 ' NE2' ' CD2' ' A' ' 56' ' ' LEU . 8.6 mt-30 -121.07 -0.63 9.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 81.6 m-70 -145.58 169.86 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.667 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.28 103.61 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.61 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 2.1 t80 -115.3 109.62 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 8.4 m -78.3 113.17 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.61 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.6 117.23 31.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.0 p -119.6 93.02 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t0 -141.83 -175.14 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 3.6 t -81.66 -11.33 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.93 39.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.49 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.0 OUTLIER -91.84 161.77 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 12.4 tp -122.61 113.1 18.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -78.37 137.06 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' B' ' 436' ' ' VAL . 3.7 mm? -130.37 143.81 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.38 132.74 53.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -38.94 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.29 48.77 1.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.494 ' OD2' ' CD1' ' B' ' 430' ' ' LEU . 30.0 t70 -111.63 169.4 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.402 ' CG2' ' CB ' ' B' ' 457' ' ' GLU . 9.2 m -117.04 128.33 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' B' ' 430' ' ' LEU . 19.6 t -138.11 148.76 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.48 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -108.78 132.82 53.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.488 HG23 ' CE1' ' B' ' 412' ' ' PHE . 37.1 t -86.25 110.68 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.45 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -115.88 153.75 48.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -56.73 -177.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -82.71 -15.37 52.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.43 147.79 2.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.42 11.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' B' ' 446' ' ' GLU . 0.0 OUTLIER -68.94 -26.24 64.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.457 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -81.59 -16.03 52.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.53 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.5 tt0 -67.82 149.93 49.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 6.6 t0 -107.67 152.93 23.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.76 112.3 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.04 63.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.603 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.9 OUTLIER -134.45 150.85 50.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.416 ' CD2' ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -139.08 172.17 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.79 113.47 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.45 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -136.03 174.37 21.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' B' ' 437' ' ' LEU . 6.9 p -136.66 146.05 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.428 ' CG ' HG22 ' B' ' 436' ' ' VAL . 0.9 OUTLIER -81.8 160.88 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.402 ' CB ' ' CG2' ' B' ' 435' ' ' VAL . 4.4 tt0 -58.25 -42.15 85.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -44.36 97.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.9 -33.17 73.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.598 ' CD1' ' HD2' ' B' ' 403' ' ' ARG . 4.6 t90 -52.97 -47.8 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -54.77 -26.03 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' B' ' 464' ' ' LYS . 63.8 mm-40 -91.82 17.94 8.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -45.05 -24.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.45 -30.45 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.76 49.21 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.83 -17.08 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.43 7.66 15.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.93 -23.81 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -50.34 142.46 10.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.98 178.83 35.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.531 ' CG2' ' CZ ' ' A' ' 65' ' ' ARG . 29.2 t -124.69 142.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -149.05 152.54 36.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.28 -27.62 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -72.8 -6.85 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.593 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -109.96 2.38 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.526 HG22 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -127.23 177.23 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.4 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.28 143.71 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -82.69 134.25 35.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.95 115.92 62.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -100.1 119.48 59.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.29 16.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -67.17 131.13 93.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.06 170.73 19.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.74 38.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 128.78 38.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 p -93.61 158.64 36.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.14 16.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -73.67 89.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.99 94.24 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.61 111.56 19.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.0 t -132.27 80.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.558 1.161 . . . . 0.0 110.977 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.662 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -107.36 145.22 33.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.23 -34.77 10.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.562 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 32.8 m-20 -74.25 156.68 36.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.45 158.01 32.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -75.04 135.17 18.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.1 21.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.91 -22.54 21.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.1 t80 -36.5 147.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 411' ' ' MET . . . . . 0.455 ' CE ' ' CG1' ' B' ' 438' ' ' VAL . 7.2 mtt -104.55 -70.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.583 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.1 p90 -159.05 174.7 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.412 ' CD ' HD22 ' B' ' 437' ' ' LEU . 0.0 OUTLIER -95.14 141.26 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.412 ' N ' ' HE2' ' B' ' 413' ' ' LYS . 3.2 m -123.86 165.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -134.12 121.45 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.11 150.88 48.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.51 -0.83 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.614 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.4 m-70 -142.93 168.88 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -110.3 103.0 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.527 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 2.8 t80 -115.81 110.32 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -82.02 114.43 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.527 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -109.52 117.38 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 60.7 p -116.94 92.68 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.57 -174.56 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.7 t -91.82 7.36 42.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -177.64 59.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.445 ' C ' ' CD ' ' B' ' 427' ' ' GLU . 0.4 OUTLIER -119.02 171.37 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 7.0 tp -122.79 113.53 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -80.64 134.9 35.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' B' ' 436' ' ' VAL . 3.5 mm? -126.22 138.62 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -122.64 124.71 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -33.76 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.2 46.9 1.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.427 ' OD2' ' CE ' ' B' ' 431' ' ' LYS . 6.8 t0 -109.91 169.08 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' B' ' 457' ' ' GLU . 0.1 OUTLIER -119.08 115.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.449 HG23 ' CD1' ' B' ' 430' ' ' LEU . 10.1 t -127.72 143.02 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.567 HD12 ' CE3' ' B' ' 460' ' ' TRP . 0.1 OUTLIER -107.99 132.96 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.455 ' CG1' ' CE ' ' B' ' 411' ' ' MET . 4.3 t -83.01 112.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.463 HD13 ' CA ' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.54 151.19 49.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.543 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -57.38 177.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.424 ' CG ' ' OE1' ' B' ' 446' ' ' GLU . 16.4 pt20 -88.03 5.43 40.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . 0.413 ' CB ' ' OE1' ' B' ' 446' ' ' GLU . 1.7 t30 170.81 150.6 0.18 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.61 15.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.82 -14.57 62.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.424 ' OE1' ' CG ' ' B' ' 442' ' ' GLN . 7.7 mt-10 -96.02 5.36 51.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.413 ' NE2' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -99.16 153.3 19.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.503 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 23.5 t70 -114.53 158.76 21.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.71 111.55 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.06 -3.92 62.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.601 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.9 OUTLIER -135.77 143.36 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.413 HD23 ' NE2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -129.16 171.28 12.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.463 ' CA ' HD13 ' B' ' 439' ' ' ILE . . . -133.73 176.57 19.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.502 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 4.1 p -138.22 144.94 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -78.06 162.72 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.461 ' CB ' HG21 ' B' ' 435' ' ' VAL . 2.0 tt0 -59.56 -45.26 92.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -43.34 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.502 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 59.7 m-20 -59.74 -32.03 70.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.567 ' CE3' HD12 ' B' ' 437' ' ' LEU . 3.6 t90 -52.47 -46.99 66.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.43 -24.57 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.476 ' NE2' ' N ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -84.3 17.91 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.662 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.3 OUTLIER -44.71 -23.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.1 OUTLIER -57.02 -30.28 64.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 49.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.412 ' O ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -61.4 -31.09 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.89 -29.08 59.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 8.42 39.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -102.66 -22.53 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -50.87 137.61 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -156.97 179.22 32.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 10.1 t -122.45 143.33 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.425 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 16.9 p90 -148.54 148.48 28.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.601 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.36 -29.26 67.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.54 -6.17 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -112.51 1.15 15.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.555 HG22 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.95 171.72 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -125.91 144.55 50.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.573 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.1 OUTLIER -82.8 136.68 34.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 28.0 t -112.04 117.6 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -92.0 118.76 68.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.21 33.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.4 t -68.97 130.25 91.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 58' ' ' THR . 18.3 Cg_endo -75.01 171.06 19.06 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 110.959 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.89 37.88 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 129.37 41.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 p -92.56 158.03 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.4 Cg_endo -75.0 172.15 16.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.09 80.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' B' ' 446' ' ' GLU . 0.6 OUTLIER -79.48 80.75 5.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -119.12 118.76 32.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.247 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 p -114.42 134.85 54.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -67.76 -174.21 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.65 -42.99 2.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -104.07 152.62 21.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.24 160.09 43.44 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.05 17.33 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.31 31.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.87 -21.02 21.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 20.0 t80 -36.87 151.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.27 -70.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' B' ' 438' ' ' VAL . 20.0 p90 -158.12 -179.93 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 144.09 30.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.491 ' CG1' HG22 ' B' ' 438' ' ' VAL . 10.1 m -122.78 165.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 13.8 tp60 -133.2 119.1 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.53 142.79 57.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.446 ' NE2' HD13 ' A' ' 56' ' ' LEU . 8.6 mt-30 -114.35 -1.26 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.612 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 44.3 m-70 -144.65 170.41 16.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 9.3 p-10 -111.07 105.72 14.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.615 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 2.5 t80 -115.76 124.44 50.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -88.15 114.2 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.615 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -112.5 116.39 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -119.46 93.15 3.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.453 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 5.5 t0 -142.9 -175.2 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -89.76 0.15 57.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -164.22 32.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.8 mm-40 -91.03 167.56 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.08 113.59 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -77.59 139.66 39.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 4.1 mm? -129.73 143.06 50.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.529 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.58 125.23 39.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.15 108.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.63 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.445 ' O ' ' NE2' ' B' ' 415' ' ' GLN . 5.0 t0 -104.79 165.55 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 0.0 OUTLIER -119.68 115.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.502 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 53.5 t -125.92 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.591 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -105.62 131.92 52.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' B' ' 412' ' ' PHE . 52.9 t -83.6 110.85 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.449 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.03 153.37 52.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.557 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.84 178.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.37 11.72 31.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' B' ' 446' ' ' GLU . 0.9 OUTLIER 168.04 149.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.92 20.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -73.37 -18.23 61.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 110.276 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.43 ' C ' ' HD3' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -91.98 4.14 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -99.82 142.16 31.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.242 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.475 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 34.6 t70 -119.48 135.31 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.71 117.42 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.12 -5.3 68.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.603 ' CZ3' ' HD3' ' B' ' 474' ' ' PRO . 1.0 OUTLIER -135.93 156.99 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.91 171.73 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 453' ' ' MET . . . . . 0.421 ' SD ' ' OE2' ' B' ' 446' ' ' GLU . 0.0 OUTLIER -86.21 112.66 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.463 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -139.32 165.64 25.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.547 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 2.2 p -126.39 145.27 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 109.246 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.477 ' CG ' HG22 ' B' ' 436' ' ' VAL . 2.1 mtmp? -78.61 162.64 26.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.475 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 2.3 tt0 -58.19 -42.56 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -35.59 80.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.547 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 23.8 m-20 -66.29 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.591 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.5 -47.89 66.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.2 17.75 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -23.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 16.6 mtmt -58.28 -30.76 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -138.63 51.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.7 pp -62.44 -30.55 71.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.4 -34.31 61.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 7.78 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.69 -18.36 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 2.3 mtt180 -58.39 151.6 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.406 ' O ' ' CE ' ' B' ' 453' ' ' MET . . . -165.44 -178.61 38.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 71.0 t -118.94 143.13 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.463 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 15.8 p90 -146.4 149.68 38.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' B' ' 476' ' ' ASN . 0.7 OUTLIER -73.05 -4.98 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.612 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -114.18 4.26 15.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.556 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.15 174.33 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -125.5 144.32 50.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.552 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 3.7 mtt180 -82.28 131.63 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.97 131.63 23.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.462 1.77 . . . . 0.0 110.983 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 2.0 mp -77.84 119.74 78.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 131.34 14.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 14.3 m -68.02 133.6 91.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 58' ' ' THR . 18.1 Cg_endo -75.07 171.47 18.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.53 38.59 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.53 129.69 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.8 p -92.83 158.92 37.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.3 Cg_endo -74.95 172.25 16.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.0 p -72.78 80.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' B' ' 446' ' ' GLU . 1.9 mmp_? -79.41 82.87 5.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' HA ' ' CB ' ' B' ' 426' ' ' ASP . 0.0 OUTLIER -83.56 116.43 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t -93.3 -61.09 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.567 1.167 . . . . 0.0 111.035 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.657 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -108.54 140.02 42.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 0.728 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.96 -35.34 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.525 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 14.9 m-20 -72.44 155.1 40.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 157.9 32.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.415 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -74.96 135.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.34 20.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . . . . . . . . . . . 91.22 -22.01 31.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.492 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.3 t80 -36.88 147.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.76 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.75 -68.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' B' ' 438' ' ' VAL . 19.7 p90 -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 147.12 27.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' B' ' 412' ' ' PHE . 1.4 m -131.38 167.68 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.33 129.74 37.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -73.46 143.39 46.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.437 ' NE2' HD23 ' A' ' 56' ' ' LEU . 8.4 mt-30 -113.1 -2.77 14.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 78.4 m-70 -143.6 170.12 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.654 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -111.0 102.36 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.592 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 2.6 t80 -115.55 115.25 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -81.5 114.0 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.592 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -112.88 116.07 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -120.17 93.3 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.65 -175.19 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -79.66 -12.71 59.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . 0.406 ' CB ' ' HA ' ' A' ' 66' ' ' ARG . 1.1 m-20 -156.06 41.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.523 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.3 OUTLIER -94.3 162.86 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . 0.473 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.48 112.64 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -76.22 136.81 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.492 HD13 ' CG2' ' B' ' 436' ' ' VAL . 3.3 mm? -128.68 147.65 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.459 ' CD ' ' OD1' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -127.9 130.34 48.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.03 98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.38 49.74 1.52 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.459 ' OD1' ' CD ' ' B' ' 431' ' ' LYS . 3.0 t70 -109.74 173.0 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.78 125.75 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.492 ' CG2' HD13 ' B' ' 430' ' ' LEU . 20.1 t -135.56 148.54 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.601 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.7 122.45 47.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.569 HG22 ' CE2' ' B' ' 412' ' ' PHE . 43.7 t -72.87 111.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.444 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.15 153.58 55.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.18 4.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.591 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -54.93 177.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.456 ' OE1' ' NH2' ' B' ' 470' ' ' ARG . 0.0 OUTLIER -87.29 -3.86 59.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.95 161.67 0.86 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.43 20.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -18.48 59.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 25.0 mt-10 -86.64 -2.84 58.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.45 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 2.6 tt0 -100.1 143.58 30.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 29.3 t70 -122.44 141.28 51.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.25 114.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.34 64.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.605 ' CZ3' ' HD3' ' B' ' 474' ' ' PRO . 1.0 OUTLIER -135.1 160.27 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.88 170.95 16.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 453' ' ' MET . . . . . 0.459 ' CB ' ' HB3' ' B' ' 441' ' ' PHE . 0.1 OUTLIER -86.84 112.83 22.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.471 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -135.65 165.47 24.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' B' ' 459' ' ' ASP . 7.3 p -125.62 143.5 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.93 161.97 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.44 -39.39 79.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -45.44 91.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 76.8 m-20 -59.73 -31.61 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.601 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.07 -48.01 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -67.29 -24.02 65.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' B' ' 464' ' ' LYS . 69.1 mm-40 -82.73 17.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.322 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.657 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.1 OUTLIER -45.05 -23.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.9 tttt -56.59 -30.05 62.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.68 52.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.411 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.4 OUTLIER -61.33 -31.67 71.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.74 -17.78 25.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 8.07 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -104.01 -29.33 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . 0.456 ' NH2' ' OE1' ' B' ' 442' ' ' GLN . 1.9 mtt180 -50.93 142.58 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -158.84 -177.22 31.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 40.0 t -121.3 142.92 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.7 p90 -147.88 149.61 33.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.605 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 115.47 4.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.5 -30.09 68.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -6.15 39.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.1 OUTLIER -111.26 2.22 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.541 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.1 p -127.0 177.21 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -129.92 140.48 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.459 ' HD2' ' CE2' ' B' ' 412' ' ' PHE . 14.6 mtm-85 -80.19 136.83 36.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.19 116.32 60.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -108.38 116.7 56.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.52 17.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 t -66.56 132.91 94.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.03 170.48 20.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.32 37.25 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 130.73 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 p -90.99 158.63 41.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.9 m -70.62 81.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' B' ' 446' ' ' GLU . 0.0 OUTLIER -78.51 87.2 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.294 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -83.97 111.54 19.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.0 t -72.99 -61.99 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.557 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -66.07 -174.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.757 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.59 -39.82 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -115.21 154.24 29.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 159.63 56.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.63 25.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.812 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 91.05 -22.57 28.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 18.9 t80 -35.97 152.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.3 mtt -112.47 -69.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.579 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.4 p90 -160.35 174.22 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.503 ' CD ' HD22 ' B' ' 437' ' ' LEU . 0.0 OUTLIER -96.83 135.59 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.501 ' CB ' ' HA ' ' B' ' 480' ' ' ARG . 3.5 m -121.07 167.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.5 OUTLIER -135.11 134.96 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' B' ' 415' ' ' GLN . . . -78.62 155.21 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.434 ' NE2' HD11 ' A' ' 56' ' ' LEU . 12.3 mt-30 -121.98 -0.25 9.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.591 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 70.8 m-70 -144.67 169.42 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 29.3 p-10 -108.36 105.26 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.52 111.67 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -77.89 113.55 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.573 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.29 117.07 31.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 66.7 p -118.91 93.93 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.8 t0 -141.46 -174.93 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 10.2 t -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -164.7 40.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 1.7 mm-40 -93.38 170.39 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . 0.445 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -127.34 112.98 15.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.22 140.42 40.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.539 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 4.3 mm? -130.64 144.99 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.477 ' CD ' ' HB2' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -129.37 130.07 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.94 99.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.9 42.44 2.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.514 ' OD2' ' CD1' ' B' ' 430' ' ' LEU . 21.2 t70 -106.47 169.1 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.771 . . . . 0.0 109.303 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.433 ' CG2' ' CB ' ' B' ' 457' ' ' GLU . 0.2 OUTLIER -117.46 126.82 74.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.539 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 15.5 t -137.1 136.15 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.64 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -98.73 132.75 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.485 HG23 ' CE1' ' B' ' 412' ' ' PHE . 38.9 t -84.73 110.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.442 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.45 154.31 48.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -57.39 -178.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -22.82 31.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -162.82 147.24 9.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.64 15.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.811 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -21.1 62.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 27.5 mt-10 -85.37 -29.64 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.1 tt0 -60.25 134.23 56.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.622 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.9 t0 -93.63 152.12 19.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.45 111.88 6.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.51 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.16 -2.12 61.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.83 140.4 42.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.36 169.84 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.38 112.56 22.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -134.67 170.94 22.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.53 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 14.4 p -131.63 142.49 43.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.08 160.9 28.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.433 ' CB ' ' CG2' ' B' ' 435' ' ' VAL . 4.9 tt0 -58.56 -40.06 82.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -37.48 87.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.53 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 63.3 m-20 -67.14 -32.64 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.64 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.0 t90 -51.42 -47.71 62.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -57.08 -25.78 59.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.1 OUTLIER -91.8 16.82 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.581 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -45.12 -23.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.1 ptmt -57.61 -30.53 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -135.45 49.65 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.4 OUTLIER -59.65 -31.75 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.65 -32.09 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.97 8.56 32.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.6 -18.78 13.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.8 mtt180 -55.06 154.45 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.445 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -164.11 -178.15 37.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.16 143.36 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -151.08 153.14 32.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.609 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.9 -30.33 68.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -67.33 -18.51 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.597 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -99.99 3.66 44.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.571 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -132.65 175.15 9.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . 0.431 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.7 OUTLIER -138.31 128.49 25.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.501 ' HA ' ' CB ' ' B' ' 414' ' ' VAL . 8.8 ptt180 -76.06 141.85 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 11.9 t -98.87 122.35 53.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' N ' HD11 ' A' ' 56' ' ' LEU . 12.3 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.481 ' CD2' ' NE2' ' B' ' 417' ' ' GLN . 0.4 OUTLIER -120.67 82.64 34.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.65 22.01 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 9.7 t -65.72 129.97 94.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.392 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.567 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 162.86 36.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.67 127.84 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.406 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 65.8 p -93.29 158.07 37.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.34 16.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -72.82 83.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.524 ' CZ ' ' O ' ' B' ' 445' ' ' GLU . 0.0 OUTLIER -79.15 90.75 4.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -98.6 113.97 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.3 p -46.11 124.09 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -178.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -120.21 -39.77 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -114.23 152.61 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.09 160.4 60.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.48 17.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.18 29.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.42 ' HA3' ' CG ' ' B' ' 440' ' ' PRO . . . 87.69 -19.89 30.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 15.6 t80 -37.13 149.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 0.722 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 411' ' ' MET . . . . . 0.48 ' CE ' HG13 ' B' ' 438' ' ' VAL . 11.5 mtt -107.44 -71.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.565 ' CE1' HG21 ' B' ' 438' ' ' VAL . 19.0 p90 -159.58 -179.78 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' B' ' 414' ' ' VAL . 0.3 OUTLIER -98.69 143.65 28.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' B' ' 438' ' ' VAL . 3.8 m -124.77 165.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 9.6 tp60 -132.89 123.86 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -72.01 144.09 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.481 ' NE2' ' CD2' ' A' ' 56' ' ' LEU . 7.3 mt-30 -115.88 -4.89 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 76.3 m-70 -138.44 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -111.03 105.75 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.582 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 2.7 t80 -115.89 123.11 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -91.39 113.24 25.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -106.97 117.4 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.3 p -116.88 91.91 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.402 ' H ' ' CG ' ' B' ' 427' ' ' GLU . 2.9 t0 -144.5 -173.65 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 10.39 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.16 52.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.423 ' C ' ' CD ' ' B' ' 427' ' ' GLU . 0.1 OUTLIER -110.0 171.73 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . 0.448 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -122.71 113.16 18.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.43 136.31 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' B' ' 436' ' ' VAL . 4.3 mm? -126.7 141.97 51.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.2 123.93 37.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.92 104.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.03 49.56 2.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.522 ' OD2' ' CD ' ' B' ' 456' ' ' LYS . 6.2 t70 -111.19 170.12 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' B' ' 457' ' ' GLU . 2.0 m -119.98 119.79 61.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' B' ' 456' ' ' LYS . 24.7 t -130.45 149.32 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.572 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -113.04 127.44 56.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' B' ' 412' ' ' PHE . 59.1 t -78.28 115.97 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.45 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -124.43 153.91 69.28 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . 0.42 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.2 Cg_endo -75.01 116.57 4.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.565 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.15 178.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.13 7.53 31.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 165.24 160.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.93 19.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.524 ' O ' ' CZ ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -72.97 -21.0 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.47 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 72.1 mm-40 -88.21 -0.98 57.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.536 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.8 tt0 -98.76 139.17 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.587 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.9 t70 -108.73 157.5 18.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 108.05 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.538 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 98.68 -1.62 58.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.609 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.4 OUTLIER -138.12 138.27 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.4 171.1 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 453' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' B' ' 441' ' ' PHE . 0.2 OUTLIER -86.46 112.83 21.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.45 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -134.86 173.11 21.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' B' ' 459' ' ' ASP . 14.5 p -133.4 144.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.522 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.5 mtmp? -81.68 161.31 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.453 ' CB ' HG21 ' B' ' 435' ' ' VAL . 3.6 tt0 -58.1 -42.99 86.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.475 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 1.5 m-20 -63.37 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.572 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.0 t90 -52.08 -47.97 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -53.95 -26.18 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.7 OUTLIER -97.2 17.83 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -45.55 -23.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.611 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.73 -30.19 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -135.21 51.36 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.7 OUTLIER -68.85 -30.13 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -53.01 -32.48 46.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -109.71 8.64 24.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.11 -22.17 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 11.3 mtt180 -51.78 153.18 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.448 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -158.08 -178.61 32.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 9.8 t -122.84 143.19 36.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -149.89 150.2 29.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.609 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -31.49 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.404 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.3 p30 -70.17 -6.58 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -110.55 0.6 17.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.498 HG21 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.03 173.16 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.2 OUTLIER -122.41 145.86 47.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.7 OUTLIER -88.09 126.09 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.33 130.58 24.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -115.24 93.66 36.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.22 25.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -67.34 131.19 93.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.431 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.99 170.76 19.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.31 38.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.08 128.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 p -92.95 159.07 36.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HG2' ' NE ' ' A' ' 65' ' ' ARG . 18.4 Cg_endo -74.96 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.6 p -72.09 90.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 446' ' ' GLU . 0.2 OUTLIER -79.37 80.65 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -118.07 84.51 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m 57.21 -176.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.667 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -107.21 143.53 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.6 -35.91 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.551 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 11.0 m-20 -72.74 156.03 39.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.53 157.66 33.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.429 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -75.0 135.45 19.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.42 19.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 93.03 -23.71 28.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' B' ' 409' ' ' GLY . 22.8 t80 -36.23 149.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.3 mtt -112.01 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' B' ' 438' ' ' VAL . 30.0 p90 -154.42 -179.57 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 111.05 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.63 152.15 21.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.459 ' CG2' ' HB ' ' B' ' 436' ' ' VAL . 5.0 m -130.56 165.95 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 6.0 tp60 -134.98 123.08 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' B' ' 430' ' ' LEU . . . -70.02 141.77 52.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.434 ' NE2' HD23 ' A' ' 56' ' ' LEU . 10.5 mt-30 -113.59 -2.2 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 83.5 m-70 -143.62 169.23 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -111.75 103.88 12.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 2.9 t80 -116.24 125.33 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -87.27 113.17 22.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.604 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.89 116.15 29.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.5 p -120.1 93.76 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.7 t70 -142.61 -175.25 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.6 t -88.58 -4.84 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.33 35.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -93.23 170.65 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . 0.5 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -131.77 113.79 13.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.67 139.9 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.46 ' CD1' ' HB1' ' B' ' 416' ' ' ALA . 3.2 mm? -130.36 140.3 50.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.34 125.01 43.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -32.72 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.58 47.5 2.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.484 ' CG ' ' CE ' ' B' ' 431' ' ' LYS . 8.2 t0 -108.83 170.09 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 13.7 m -119.54 124.24 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.462 HG23 ' CG ' ' B' ' 456' ' ' LYS . 42.7 t -136.13 149.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.639 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -109.76 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' B' ' 412' ' ' PHE . 3.2 t -84.87 113.03 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.405 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.41 153.28 51.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -56.99 178.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.49 -3.08 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . 0.504 ' CB ' ' OE1' ' B' ' 446' ' ' GLU . 1.0 OUTLIER 172.49 147.29 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . 0.409 ' HD2' ' ND2' ' B' ' 443' ' ' ASN . 18.3 Cg_endo -74.92 -17.52 19.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -17.08 62.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.504 ' OE1' ' CB ' ' B' ' 443' ' ' ASN . 4.3 mp0 -91.82 -29.58 16.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.573 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 4.2 tt0 -54.39 132.44 44.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.2 t70 -90.56 154.83 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.77 112.72 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.65 -5.06 66.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CE3' ' HD3' ' B' ' 474' ' ' PRO . 1.2 m95 -134.01 146.52 50.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -129.43 170.71 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.99 113.37 24.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -135.82 175.85 20.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' B' ' 459' ' ' ASP . 6.6 p -136.67 144.11 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.328 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.462 ' CG ' HG23 ' B' ' 436' ' ' VAL . 1.9 mtmp? -79.73 160.73 26.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 1.9 tt0 -58.09 -42.64 86.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 1.6 t -59.89 -44.13 94.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 82.9 m-20 -59.73 -32.13 70.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.639 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.8 -47.46 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -67.12 -24.91 65.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.444 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -84.52 17.89 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.667 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.4 OUTLIER -45.22 -23.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.633 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mmtt -56.89 -30.08 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.14 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.413 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -62.55 -31.48 72.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 4.5 mt-10 -59.08 -17.7 28.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -115.15 8.16 15.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.7 OUTLIER -105.08 -26.87 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.258 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.34 139.52 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.5 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -155.69 -178.77 30.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.445 HG23 ' CB ' ' A' ' 65' ' ' ARG . 54.8 t -120.86 142.77 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -145.74 147.56 33.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.622 ' HD3' ' CE3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' B' ' 452' ' ' LEU . 0.6 OUTLIER -69.09 -31.57 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -70.32 -5.55 28.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -114.16 0.68 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.566 HG22 ' CD1' ' B' ' 477' ' ' PHE . 0.9 OUTLIER -128.16 177.67 6.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.21 145.08 51.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.506 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.9 mtt180 -84.78 137.56 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' B' ' 482' ' ' PRO . 84.6 t -111.52 141.15 23.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . 0.445 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.624 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.54 121.91 84.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.86 41.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.762 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 71.7 p -72.06 132.67 84.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 171.89 17.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.25 39.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 128.2 35.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.9 p -93.77 157.89 37.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.03 173.06 15.16 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.5 p -72.25 93.72 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' NE ' ' HG2' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -79.41 101.08 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.59 114.71 20.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.37 -45.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.522 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -85.79 -173.28 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.75 -42.61 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.84 153.54 25.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.5 160.42 56.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.406 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -74.94 135.07 18.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 144.98 30.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.062 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.48 -21.78 19.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 16.7 t80 -36.74 146.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.9 mtt -108.43 -69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.497 ' CE1' HG21 ' B' ' 438' ' ' VAL . 28.0 p90 -157.92 -179.84 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.418 ' HE3' ' CG1' ' B' ' 435' ' ' VAL . 0.3 OUTLIER -102.76 146.38 28.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' B' ' 436' ' ' VAL . 2.8 m -125.63 167.65 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -134.52 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -73.14 146.78 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -116.76 -2.32 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.2 m-70 -143.21 170.95 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 11.9 p-10 -111.83 102.1 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 3.7 t80 -115.95 118.69 33.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 45.6 m -85.47 113.74 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.8 115.9 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.3 p -120.56 93.65 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.3 t0 -142.05 -175.41 4.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -76.35 -16.25 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.88 43.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.523 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.5 OUTLIER -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.352 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.7 tp -123.4 113.32 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . 0.418 ' O ' ' CD ' ' B' ' 456' ' ' LYS . 3.1 tt0 -77.19 136.96 38.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' B' ' 436' ' ' VAL . 3.6 mm? -128.95 140.28 51.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.25 126.26 46.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.24 98.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.11 48.06 1.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.437 ' CG ' ' CE ' ' B' ' 431' ' ' LYS . 9.8 t0 -109.75 169.0 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 0.7 OUTLIER -120.48 122.19 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' B' ' 414' ' ' VAL . 39.1 t -131.07 148.92 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.621 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -109.88 125.14 52.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' B' ' 412' ' ' PHE . 24.2 t -78.74 110.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.451 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.8 153.72 49.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.03 4.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.539 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -58.48 -177.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.507 ' NE2' ' NH2' ' B' ' 470' ' ' ARG . 0.0 OUTLIER -76.77 -22.65 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' B' ' 442' ' ' GLN . 1.0 OUTLIER -171.49 155.44 4.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.92 17.39 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -10.75 60.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 45.4 mt-10 -104.12 11.43 35.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -95.68 142.95 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.501 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 27.9 t70 -103.22 152.68 21.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.83 115.43 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.03 -4.49 65.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.057 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 1.1 m95 -134.96 161.48 35.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.67 172.29 14.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 453' ' ' MET . . . . . 0.407 ' CB ' ' HB3' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -86.48 112.94 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.526 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -138.64 174.69 21.91 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.475 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 12.1 p -136.64 140.87 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.448 ' HG3' ' CG2' ' B' ' 436' ' ' VAL . 0.1 OUTLIER -78.19 161.73 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 3.6 tt0 -58.15 -36.33 72.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.04 74.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.475 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 0.9 OUTLIER -60.04 -32.83 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.621 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.1 t90 -51.97 -47.95 64.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -56.0 -25.69 45.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -90.32 17.38 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -45.61 -23.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.576 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mttt -58.1 -31.45 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' B' ' 468' ' ' LYS . 3.2 mttt -142.94 57.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.94 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -54.51 -33.67 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . 0.441 ' CG ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -104.53 8.75 35.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.404 ' SG ' ' OD2' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -113.95 -10.02 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.355 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . 0.507 ' NH2' ' NE2' ' B' ' 442' ' ' GLN . 1.9 mtt180 -55.29 156.57 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -165.22 178.01 40.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 44.4 t -120.62 143.38 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.526 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.1 p90 -141.84 144.97 34.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . 0.404 ' HA ' ' OG1' ' B' ' 478' ' ' THR . 2.3 tt0 -68.04 -27.56 66.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' B' ' 476' ' ' ASN . 0.4 OUTLIER -72.12 -5.66 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -116.6 3.38 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.449 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.6 OUTLIER -128.64 175.87 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.38 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -130.95 141.19 50.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.441 ' HD2' ' CE1' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -80.9 139.71 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 40.0 t -111.5 135.95 21.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.462 1.77 . . . . 0.0 111.006 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD13 ' CD2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -80.95 121.23 80.62 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.43 42.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.4 p -68.15 129.49 92.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 171.32 18.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.962 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.41 37.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.5 128.58 37.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.2 p -92.98 158.57 37.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 173.33 14.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.8 p -72.68 89.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.51 104.02 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.86 120.66 24.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' GLY . 69.1 m -152.18 -61.75 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' B' ' 467' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -62.31 -173.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' B' ' 405' ' ' ASP . 0.6 OUTLIER -122.78 -40.39 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.415 ' N ' ' HG ' ' B' ' 404' ' ' LEU . 11.0 m-20 -110.02 155.2 22.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.12 160.01 38.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.91 17.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.61 30.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.26 -22.01 17.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.488 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.5 t80 -36.51 147.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.0 mtt -108.1 -70.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.546 ' CE1' HG23 ' B' ' 438' ' ' VAL . 20.5 p90 -157.72 -179.84 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.04 145.29 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.492 ' CG1' HG23 ' B' ' 438' ' ' VAL . 4.5 m -123.98 165.65 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 14.8 tp60 -131.57 122.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -70.88 143.58 50.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.441 ' HB2' ' CD2' ' B' ' 418' ' ' HIS . 7.2 mt-30 -114.21 -4.76 13.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.65 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 16.2 m-70 -140.07 169.83 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 13.9 t0 -112.14 105.92 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.61 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 2.1 t80 -116.27 121.83 43.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -84.42 113.74 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.61 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.46 116.12 29.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 12.8 p -119.6 93.89 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.488 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.1 t70 -142.31 -175.6 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -86.06 -4.92 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -163.83 38.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.14 168.71 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . 0.469 ' CD1' ' HE2' ' B' ' 456' ' ' LYS . 0.0 OUTLIER -124.3 113.58 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -79.91 130.94 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.532 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 2.8 mm? -123.5 139.54 53.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -125.66 125.4 43.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -29.71 103.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.9 45.9 2.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.408 ' CB ' ' HD2' ' B' ' 431' ' ' LYS . 5.1 t0 -107.22 164.68 11.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.434 ' CG2' ' CB ' ' B' ' 457' ' ' GLU . 0.4 OUTLIER -119.96 117.21 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.532 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 47.8 t -126.49 147.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.608 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -109.19 127.63 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.546 HG23 ' CE1' ' B' ' 412' ' ' PHE . 74.0 t -78.55 115.1 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.454 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -121.55 152.2 57.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -59.1 -179.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.408 ' CG ' ' OE1' ' B' ' 446' ' ' GLU . 6.4 pt20 -84.39 2.25 41.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . 0.461 ' CB ' ' OE1' ' B' ' 446' ' ' GLU . 1.3 t30 169.28 151.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . 0.4 ' HD2' ' ND2' ' B' ' 443' ' ' ASN . 18.4 Cg_endo -75.0 -19.43 17.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.04 -9.79 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.461 ' OE1' ' CB ' ' B' ' 443' ' ' ASN . 2.5 mp0 -101.33 7.87 42.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -95.84 147.34 23.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.598 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 19.5 t70 -108.83 156.24 19.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.8 113.25 11.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.7 -4.62 63.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.598 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -134.82 160.91 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.09 172.04 14.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.28 112.58 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.533 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -136.14 175.89 20.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.484 HG21 ' CB ' ' B' ' 459' ' ' ASP . 6.4 p -136.54 139.23 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.469 ' HE2' ' CD1' ' B' ' 428' ' ' LEU . 8.7 mtmt -76.39 160.49 29.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.434 ' CB ' ' CG2' ' B' ' 435' ' ' VAL . 2.9 tt0 -58.92 -40.7 85.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.484 ' CB ' HG21 ' B' ' 455' ' ' VAL . 55.7 m-20 -66.96 -33.74 76.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.608 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.0 t90 -52.68 -47.74 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -56.86 -26.11 57.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 55.5 mm-40 -92.46 17.44 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -45.39 -23.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.598 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -58.3 -32.88 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.92 45.68 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.412 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.3 OUTLIER -54.74 -30.43 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 68' ' ' GLY . 3.8 tt0 -55.15 -17.43 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.38 8.51 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -109.89 -26.41 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -49.95 143.38 7.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -164.72 -177.92 37.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 24.5 t -117.01 143.83 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.533 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.7 p90 -146.1 145.75 25.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 113.23 3.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 475' ' ' GLU . 1.4 tt0 -69.81 -27.01 64.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.44 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.3 p30 -74.04 -3.29 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.65 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -116.45 5.36 13.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.576 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.5 p -129.54 174.09 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.45 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . 0.402 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 8.2 tt0 -124.24 148.03 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 134.5 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 26.2 t -107.48 117.53 55.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.674 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -79.84 121.9 82.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.34 37.37 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 62.5 p -79.95 133.68 57.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.55 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 171.91 17.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.13 33.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -57.93 130.58 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 p -91.01 157.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.91 13.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m -71.68 91.3 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.527 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 6.8 mtp180 -78.16 96.12 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -82.43 115.55 21.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -116.69 163.0 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.993 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.666 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -107.83 143.94 35.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.24 -37.64 10.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.531 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 14.4 m-20 -71.64 156.0 39.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.68 157.79 33.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.419 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.01 135.61 19.28 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 137.72 21.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.01 -23.49 17.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.6 t80 -36.1 147.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -105.75 -70.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.552 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 18.4 p90 -157.4 -179.58 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.417 ' CE ' ' O ' ' B' ' 414' ' ' VAL . 0.2 OUTLIER -99.28 145.82 26.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.417 ' O ' ' CE ' ' B' ' 413' ' ' LYS . 5.4 m -127.23 164.84 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -134.65 122.65 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -69.03 152.93 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -123.81 0.38 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.56 ' CD2' HD23 ' A' ' 56' ' ' LEU . 82.7 m-70 -145.35 169.54 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -110.26 104.33 13.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.625 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.65 104.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -75.47 113.39 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -113.41 119.23 36.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -118.12 93.8 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -143.64 -174.17 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 7.8 t -95.53 1.32 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -165.23 53.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 427' ' ' GLU . 0.1 OUTLIER -118.65 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 6.4 tp -129.95 113.34 14.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -78.15 137.62 38.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.494 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 4.5 mm? -129.79 146.2 51.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -128.74 130.19 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.76 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 102.87 45.91 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.447 ' HB2' ' CD ' ' B' ' 431' ' ' LYS . 27.0 t70 -110.21 170.08 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 0.6 OUTLIER -117.44 128.1 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.494 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 25.4 t -137.57 145.1 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.548 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -107.87 133.33 52.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.513 HG21 ' CE1' ' B' ' 412' ' ' PHE . 6.4 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.46 HD11 ' CA ' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.22 152.87 55.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -60.1 -175.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -81.97 -25.88 34.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -164.1 149.39 8.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.15 17.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.86 -27.13 65.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.527 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 8.4 mm-40 -81.38 -28.97 34.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.6 tt0 -54.7 138.66 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.628 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 11.5 t70 -97.66 152.37 19.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 114.03 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.502 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.78 -4.34 63.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.628 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -135.89 158.88 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.487 ' CD2' ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -144.91 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.21 113.83 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.462 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -136.0 177.97 19.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.49 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 7.0 p -138.03 145.21 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -81.49 161.65 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 6.2 tt0 -57.62 -43.13 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.49 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 18.5 m-20 -59.92 -32.79 71.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.548 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.9 t90 -52.34 -47.71 65.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -67.3 -23.84 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.461 ' C ' ' N ' ' B' ' 464' ' ' LYS . 56.4 mm-40 -82.79 17.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.666 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.1 OUTLIER -44.91 -23.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' B' ' 462' ' ' GLN . 7.1 mtmt -56.89 -30.3 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -140.41 53.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -31.84 70.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.09 -17.65 41.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.92 8.07 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.4 ' HB2' ' CG ' ' B' ' 459' ' ' ASP . 0.7 OUTLIER -103.55 -24.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.44 137.61 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -155.2 178.65 31.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.472 HG13 ' N ' ' B' ' 473' ' ' PHE . 74.4 t -122.16 142.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.472 ' N ' HG13 ' B' ' 472' ' ' VAL . 16.3 p90 -147.15 147.5 29.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.582 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 117.21 4.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.86 -30.45 68.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.441 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.18 -5.41 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -112.31 0.44 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.546 HG22 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.29 179.57 5.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -132.17 150.95 52.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 8.1 mtt180 -88.12 131.46 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.47 115.82 60.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.652 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -80.01 121.87 82.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.44 38.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.429 1.752 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 4.3 t -68.97 132.47 90.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.355 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.521 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 171.39 18.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.982 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.36 35.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.05 129.86 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.438 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 98.0 p -91.62 156.25 43.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.82 15.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.69 87.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.524 ' HD2' ' N ' ' B' ' 448' ' ' ASP . 50.7 mtp180 -78.71 114.94 18.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 119.25 24.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.9 p -108.13 79.22 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.958 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.983 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.573 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -70.0 -171.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' B' ' 405' ' ' ASP . 1.1 pt? -123.32 -43.09 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.406 ' N ' ' HG ' ' B' ' 404' ' ' LEU . 10.0 m-20 -110.53 153.45 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.08 159.92 58.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.3 17.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 141.82 27.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.82 -23.02 18.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.3 t80 -35.91 148.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 411' ' ' MET . . . . . 0.471 ' HE1' ' CG1' ' B' ' 438' ' ' VAL . 10.2 mtt -106.22 -71.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.579 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 7.9 p90 -160.15 177.09 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.465 ' HE3' ' CG1' ' B' ' 435' ' ' VAL . 0.0 OUTLIER -93.83 139.39 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' B' ' 436' ' ' VAL . 14.9 m -119.51 167.53 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' B' ' 479' ' ' GLU . 6.5 tp60 -133.88 129.33 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . 0.465 ' CB ' HD23 ' B' ' 430' ' ' LEU . . . -76.76 146.85 37.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -117.5 -0.96 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.7 m-70 -147.15 168.87 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.572 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -107.84 103.87 13.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.624 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 1.7 t80 -113.83 110.35 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -81.02 113.66 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -113.12 117.94 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.2 p -117.99 93.19 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.6 t70 -142.11 -174.94 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 13.6 t -88.18 -0.79 57.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -165.47 36.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -92.53 164.2 13.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 1.9 tp -121.86 113.79 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -83.87 136.73 34.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.465 HD23 ' CB ' ' B' ' 416' ' ' ALA . 0.3 OUTLIER -129.92 151.61 50.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.66 131.28 46.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.39 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.54 44.8 2.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.445 ' OD2' ' CD ' ' B' ' 456' ' ' LYS . 26.7 t70 -109.55 169.91 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.465 ' CG1' ' HE3' ' B' ' 413' ' ' LYS . 1.5 m -117.83 126.85 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.475 ' O ' ' CG2' ' B' ' 414' ' ' VAL . 37.4 t -135.66 143.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.65 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -102.77 133.25 48.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.471 ' CG1' ' HE1' ' B' ' 411' ' ' MET . 7.5 t -87.32 109.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.97 153.3 47.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.17 4.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -57.29 -175.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -86.13 -3.96 59.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.57 148.57 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.7 15.59 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.464 1.771 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -24.68 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.469 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 4.6 mm-40 -85.75 -14.73 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 5.5 tt0 -69.15 137.37 53.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.634 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 4.3 t0 -94.33 149.0 21.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.5 OUTLIER -69.76 111.69 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.535 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.19 0.26 61.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.634 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.3 m95 -138.64 147.43 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 172.02 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.37 113.6 23.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.481 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -139.07 172.95 22.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.575 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 9.9 p -136.88 145.68 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.445 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 0.2 OUTLIER -77.98 160.63 28.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.443 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 2.9 tt0 -57.89 -43.6 86.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -37.91 76.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.575 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 25.8 m-20 -66.0 -32.3 73.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.65 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.5 t90 -51.44 -47.06 63.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -57.78 -26.81 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -92.79 16.76 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.533 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -45.85 -23.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.603 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 12.8 tttt -57.85 -30.37 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -131.47 48.81 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 3.7 pp -55.03 -31.51 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.08 -18.86 63.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -115.0 7.29 15.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.0 OUTLIER -112.48 -10.84 13.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -60.25 150.62 29.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -165.14 179.97 39.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.029 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.488 HG21 ' CZ ' ' A' ' 65' ' ' ARG . 23.2 t -125.37 142.72 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.481 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 10.9 p90 -149.3 150.26 31.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 115.43 4.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.08 -29.85 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.453 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.4 p30 -71.93 -5.4 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -111.32 2.27 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.549 HG22 ' CD1' ' B' ' 477' ' ' PHE . 2.0 p -128.22 -179.68 5.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 415' ' ' GLN . 5.0 tt0 -131.45 150.01 52.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.447 ' HD2' ' CZ ' ' B' ' 412' ' ' PHE . 11.2 mtm-85 -89.84 133.8 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 40.3 t -111.27 115.92 51.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.658 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -79.98 121.6 82.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.43 42.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 4.4 m -71.07 134.01 85.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.96 171.47 18.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 111.023 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.47 33.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.48 130.44 46.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.443 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 88.1 p -90.91 157.1 43.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 173.9 13.7 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.9 p -71.36 93.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.07 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.518 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 5.1 mtp180 -78.54 116.24 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.09 116.33 30.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.51 -60.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.406 ' C ' ' OD1' ' B' ' 426' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.545 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -63.46 -174.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.99 -40.81 2.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -106.58 153.85 21.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.03 160.35 37.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 133.57 16.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 144.27 29.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.04 -23.95 12.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' B' ' 409' ' ' GLY . 19.5 t80 -35.83 147.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.7 mtt -110.06 -69.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.425 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 18.3 p90 -157.17 -179.5 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' B' ' 414' ' ' VAL . 0.1 OUTLIER -100.27 147.45 25.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 436' ' ' VAL . 11.2 m -125.29 167.43 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -133.12 123.18 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -71.99 145.14 48.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.39 3.15 13.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.4 m-70 -148.13 169.53 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.32 100.43 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.625 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -113.07 117.97 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.78 114.67 21.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -110.76 116.33 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 20.2 p -119.8 94.03 4.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.496 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 8.9 t -85.54 -5.44 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 68' ' ' GLY . 70.9 m-20 -163.69 38.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.496 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.58 170.83 9.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . 0.469 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -130.38 113.49 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -79.44 141.18 37.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.501 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 3.5 mm? -127.44 154.65 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -131.69 127.85 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' B' ' 418' ' ' HIS . . . -39.27 96.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.88 33.06 4.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' B' ' 431' ' ' LYS . 10.1 t70 -96.2 169.99 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.431 HG12 ' CE ' ' B' ' 413' ' ' LYS . 0.6 OUTLIER -115.41 127.13 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 3.3 t -135.34 143.92 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.621 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -103.44 130.74 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.409 HG21 ' CE1' ' B' ' 412' ' ' PHE . 3.2 t -85.49 109.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.05 153.29 48.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.55 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -58.0 -172.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -18.88 32.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.15 152.34 1.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -19.66 17.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.52 -27.83 65.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.518 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 80.3 mt-10 -82.22 -28.96 31.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.524 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 6.9 tt0 -54.71 137.55 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.9 t70 -96.98 149.97 21.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.99 113.91 8.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.57 -3.89 63.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.615 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.0 159.42 41.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.17 172.01 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.39 113.5 23.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -139.6 176.51 21.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.542 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 12.7 p -138.28 144.84 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.419 ' HG2' ' CG2' ' B' ' 436' ' ' VAL . 0.5 OUTLIER -78.71 160.49 27.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.43 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 3.7 tt0 -58.68 -43.27 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -36.64 80.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.542 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 61.1 m-20 -65.58 -33.37 75.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.621 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.46 -47.67 66.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -56.49 -26.26 53.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' B' ' 464' ' ' LYS . 1.5 mp0 -94.48 17.59 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.516 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.2 OUTLIER -45.55 -24.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.571 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.3 mtpt -58.26 -30.74 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . 0.42 ' HB3' ' CD ' ' B' ' 468' ' ' LYS . 0.7 OUTLIER -135.61 48.23 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' B' ' 469' ' ' CYS . 0.1 OUTLIER -69.47 -29.45 67.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' B' ' 470' ' ' ARG . 5.3 mt-10 -53.55 -35.64 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . 0.42 ' CD ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -106.05 9.11 32.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.403 ' CB ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -106.11 -18.66 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . 0.421 ' NH1' ' HA ' ' B' ' 467' ' ' GLU . 3.4 mtm-85 -51.06 153.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.469 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -162.91 -177.37 35.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.481 ' CG2' ' HD3' ' A' ' 65' ' ' ARG . 14.1 t -125.37 143.24 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.445 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 13.8 p90 -145.55 149.66 41.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.598 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -69.74 -29.65 67.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.446 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -72.61 -4.48 31.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.583 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -112.53 1.79 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.579 HG21 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -128.93 -179.89 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -131.48 143.96 50.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.33 135.92 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' B' ' 482' ' ' PRO . 17.4 t -104.66 139.82 20.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . 0.442 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 2.6 mp -109.47 119.55 47.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.39 10.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.38 134.69 93.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.358 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.456 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 170.43 20.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.82 38.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.31 128.47 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -93.03 159.1 36.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.91 15.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -72.2 84.75 1.04 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' CD ' ' C ' ' B' ' 446' ' ' GLU . 2.6 mmp_? -79.06 82.78 5.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' B' ' 426' ' ' ASP . 0.9 OUTLIER -119.15 119.38 33.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.44 ' N ' ' OE2' ' B' ' 446' ' ' GLU . 30.8 p -38.76 98.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.579 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -71.05 -169.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.338 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -127.18 -44.63 1.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -116.63 154.77 29.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 160.02 55.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 135.16 18.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.42 31.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.05 -18.63 30.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.82 150.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 411' ' ' MET . . . . . 0.461 ' HE1' ' CG1' ' B' ' 438' ' ' VAL . 11.3 mtt -108.28 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.577 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.1 p90 -159.04 -179.77 8.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' B' ' 414' ' ' VAL . 0.0 OUTLIER -99.92 133.31 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.498 ' N ' ' HD2' ' B' ' 413' ' ' LYS . 1.4 m -114.38 166.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.45 ' HB2' ' CG2' ' B' ' 481' ' ' VAL . 13.7 tp60 -132.33 124.94 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -70.57 147.78 48.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.423 ' NE2' HD22 ' A' ' 56' ' ' LEU . 8.1 mt-30 -119.02 -6.01 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.7 m-70 -141.64 169.08 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 9.7 p-10 -107.69 106.34 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 1.8 t80 -114.8 111.83 21.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -84.12 113.88 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -111.24 116.7 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 43.6 p -117.63 91.69 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.19 -173.51 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.5 t -94.46 14.1 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . 0.43 ' CB ' ' HA ' ' A' ' 66' ' ' ARG . 3.7 t70 179.29 60.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.47 ' C ' ' CD ' ' B' ' 427' ' ' GLU . 0.0 OUTLIER -125.06 170.94 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . 0.476 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.69 113.5 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . 0.498 ' O ' ' CD ' ' B' ' 456' ' ' LYS . 5.2 tt0 -80.44 132.87 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' B' ' 436' ' ' VAL . 0.3 OUTLIER -125.29 144.27 50.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.4 131.08 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.25 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.21 48.94 1.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.408 ' O ' ' NE2' ' B' ' 415' ' ' GLN . 10.8 t0 -110.95 172.64 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.466 ' CG1' ' HE2' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -120.54 123.39 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' B' ' 430' ' ' LEU . 22.0 t -133.6 149.12 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.619 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -111.82 125.16 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' B' ' 412' ' ' PHE . 11.8 t -77.21 110.59 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.421 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 152.82 53.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.581 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -53.87 176.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.56 11.74 25.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 165.05 159.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.37 19.54 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.446 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 1.2 mt-10 -73.84 -20.13 60.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.463 ' C ' ' CD ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -86.89 -6.22 58.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 2.7 tt0 -99.3 144.55 28.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 12.1 t70 -116.11 159.0 22.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 108.19 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.526 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.82 0.31 59.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.599 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.7 OUTLIER -138.62 143.46 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.8 171.77 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.72 113.04 22.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.481 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -137.31 165.92 25.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.494 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 14.4 p -127.67 144.85 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.325 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' B' ' 429' ' ' GLN . 0.5 OUTLIER -80.86 162.89 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.454 ' CB ' HG21 ' B' ' 435' ' ' VAL . 5.5 tt0 -57.86 -39.1 76.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -46.74 77.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.494 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 7.2 m-20 -59.98 -32.7 71.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.619 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.8 t90 -51.8 -47.81 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -55.44 -26.79 44.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.44 16.62 13.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -45.83 -23.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.556 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 6.2 pttt -58.26 -31.19 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 43.15 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.33 -31.14 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.79 -22.58 47.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.63 7.38 14.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.84 -13.27 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 7.2 mtt180 -57.29 151.06 16.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.476 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -160.56 -178.19 34.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 5.2 t -125.79 143.2 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.481 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 9.5 p90 -149.8 150.06 29.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.598 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.93 119.82 5.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.96 -34.59 75.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.409 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.7 p30 -69.66 -6.26 30.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.579 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.2 OUTLIER -108.54 2.32 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 478' ' ' THR . . . . . . . . . . . . . 1.2 p -128.35 -179.8 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.458 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -131.83 150.66 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.436 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 7.3 mtm-85 -88.18 126.53 35.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' B' ' 415' ' ' GLN . 22.0 t -105.06 138.52 19.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 1.6 pt? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.603 HD13 ' CD2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -79.45 121.9 83.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.4 43.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.8 t -67.77 130.44 92.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.35 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.541 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 171.85 17.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.73 34.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 130.19 45.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.5 p -91.47 157.3 42.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.17 13.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.4 p -70.97 92.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.542 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 6.6 mtp180 -78.37 101.02 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -81.41 113.53 19.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -169.73 108.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.558 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -70.91 167.8 18.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.05 -27.56 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -114.62 152.9 31.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.25 159.9 36.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 134.53 17.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.16 26.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.55 -22.3 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 9.1 t80 -36.24 147.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 411' ' ' MET . . . . . 0.451 ' CE ' HG12 ' B' ' 438' ' ' VAL . 11.5 mtt -103.76 -73.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.577 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.4 p90 -158.22 179.4 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.468 ' HE3' ' CG1' ' B' ' 435' ' ' VAL . 0.0 OUTLIER -96.47 140.3 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' B' ' 436' ' ' VAL . 16.3 m -120.92 166.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 7.8 tp60 -134.71 127.38 30.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -75.48 141.36 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 8.0 mt-30 -112.89 -6.4 13.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.63 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 19.9 m-70 -138.5 168.34 19.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.584 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 5.2 p-10 -109.34 105.87 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' B' ' 422' ' ' ALA . 3.6 t80 -116.36 124.08 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -92.46 116.71 29.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' B' ' 420' ' ' TYR . . . -112.26 116.48 30.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 34.4 p -118.24 91.2 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -144.45 -173.96 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 425' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' B' ' 426' ' ' ASP . 9.5 t -94.81 13.94 23.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 425' ' ' THR . 13.3 m-20 -179.55 59.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.449 ' C ' ' CD ' ' B' ' 427' ' ' GLU . 0.0 OUTLIER -124.48 171.57 9.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . 0.476 ' CD2' ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -128.07 113.27 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -76.09 134.76 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -123.55 141.38 52.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.67 126.73 46.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.08 102.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.35 48.54 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.459 ' OD2' ' CE ' ' B' ' 431' ' ' LYS . 6.7 t0 -110.46 171.62 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' B' ' 457' ' ' GLU . 0.0 OUTLIER -119.8 119.29 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' B' ' 414' ' ' VAL . 14.8 t -129.65 144.02 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.577 HD12 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -106.12 133.39 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' B' ' 412' ' ' PHE . 48.9 t -86.28 110.25 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.446 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.78 153.69 48.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.53 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -59.96 -176.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -80.96 -18.68 46.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.35 151.3 1.61 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.44 19.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.69 -24.99 62.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.542 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -84.01 -28.51 27.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.492 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.5 tt0 -54.86 138.89 41.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.621 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.2 t70 -98.77 154.38 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.97 113.17 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.4 -3.34 63.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.621 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.5 157.09 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.59 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.34 113.82 23.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.46 ' HA3' ' CE1' ' B' ' 473' ' ' PHE . . . -141.22 169.17 25.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.551 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 2.3 p -129.97 146.47 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -78.87 163.16 25.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' B' ' 435' ' ' VAL . 2.6 tt0 -58.06 -43.24 86.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -39.39 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.551 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 29.4 m-20 -65.2 -32.43 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.577 ' CE3' HD12 ' B' ' 437' ' ' LEU . 3.7 t90 -52.56 -47.3 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -62.96 -24.73 68.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 36.8 mm-40 -86.84 17.73 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -45.21 -24.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.598 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.99 -30.68 66.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -139.72 52.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.95 -18.81 59.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -114.46 6.36 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.66 -15.22 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -56.81 152.78 11.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.476 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -167.01 -179.62 40.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.455 ' CG2' ' HD3' ' A' ' 65' ' ' ARG . 37.3 t -121.55 143.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.737 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.46 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.1 p90 -146.76 148.69 34.03 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.8 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' B' ' 475' ' ' GLU . 1.1 tt0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.445 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.15 -4.94 32.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.63 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -114.66 2.22 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.55 HG21 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -127.33 175.97 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 2.3 tt0 -128.86 151.3 49.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.444 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.1 mtm180 -89.78 131.01 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.02 115.81 62.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.669 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -80.24 121.43 81.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 150.2 37.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.4 t -68.93 133.02 90.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 171.16 18.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.73 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.78 130.45 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.435 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 79.4 p -90.83 157.11 44.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 173.2 14.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -71.9 88.6 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.548 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 14.1 mtp180 -78.47 99.92 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.17 104.3 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -142.8 77.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' B' ' 403' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.488 ' HD2' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -37.34 143.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.14 -13.08 36.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.459 ' HB2' ' NE ' ' B' ' 403' ' ' ARG . 6.4 m-20 -103.11 151.18 22.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.35 159.42 29.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.21 17.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.556 1.819 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.8 29.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.41 -21.17 22.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 8.1 t80 -35.83 146.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -105.57 -72.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.56 ' CE1' HG23 ' B' ' 438' ' ' VAL . 19.6 p90 -153.4 -179.99 8.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.422 ' HE3' ' CG1' ' B' ' 435' ' ' VAL . 0.0 OUTLIER -103.47 135.83 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' B' ' 436' ' ' VAL . 3.7 m -119.44 168.25 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' B' ' 479' ' ' GLU . 2.0 tp60 -133.7 131.19 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . 0.448 ' CB ' HD13 ' B' ' 430' ' ' LEU . . . -75.53 144.7 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.12 -0.89 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.1 m-70 -144.79 170.07 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 7.9 p-10 -112.08 103.13 11.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.621 ' CE2' ' HB1' ' B' ' 422' ' ' ALA . 3.1 t80 -116.34 116.92 28.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -82.25 113.03 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.621 ' HB1' ' CE2' ' B' ' 420' ' ' TYR . . . -113.19 116.85 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.9 p -119.47 94.23 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.507 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.6 t0 -142.16 -174.97 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.5 t -89.22 -0.94 57.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.17 32.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.507 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -91.84 170.56 9.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' B' ' 456' ' ' LYS . 0.1 OUTLIER -132.37 113.27 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' B' ' 456' ' ' LYS . 3.6 tt0 -76.25 135.82 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.481 ' CD1' HG21 ' B' ' 436' ' ' VAL . 2.7 mm? -125.74 146.62 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.21 126.13 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.17 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.02 50.55 1.24 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.447 ' HB3' ' CD1' ' B' ' 430' ' ' LEU . 10.7 t0 -112.91 172.61 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' B' ' 457' ' ' GLU . 0.0 OUTLIER -120.6 120.88 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' B' ' 430' ' ' LEU . 39.5 t -131.53 137.52 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.568 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -103.25 123.65 47.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' B' ' 412' ' ' PHE . 15.9 t -74.26 110.44 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.476 HD13 ' CA ' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.74 153.16 46.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.81 4.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.809 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -60.04 -172.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -85.77 -26.06 26.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.46 148.0 8.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.18 17.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -27.39 66.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.548 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 7.3 mm-40 -81.11 -27.94 35.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 65' ' ' ARG . 3.9 tt0 -53.75 143.7 20.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.559 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.5 t0 -103.57 155.35 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.64 111.72 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.52 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.47 -2.17 60.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.587 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.9 OUTLIER -137.18 154.72 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.34 172.17 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.99 113.61 22.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.476 ' CA ' HD13 ' B' ' 439' ' ' ILE . . . -136.87 172.02 22.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.55 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 7.7 p -135.41 139.09 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . 0.473 ' HD3' ' CD1' ' B' ' 428' ' ' LEU . 1.1 mtpm? -75.46 162.1 28.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.475 ' CB ' HG22 ' B' ' 435' ' ' VAL . 4.4 tt0 -59.83 -40.33 88.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -37.64 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.55 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 45.6 m-20 -68.63 -33.1 73.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.568 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.3 t90 -51.87 -49.57 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -54.61 -26.35 32.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.467 ' C ' ' N ' ' B' ' 464' ' ' LYS . 1.9 mp0 -104.55 19.72 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . 0.488 ' CD2' ' HD2' ' B' ' 403' ' ' ARG . 0.2 OUTLIER -45.43 -22.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.467 ' N ' ' C ' ' B' ' 462' ' ' GLN . 3.5 tttt -57.44 -30.78 65.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -126.26 45.13 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.53 -36.98 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.46 -17.13 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -115.11 3.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.97 -19.21 11.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.9 mtm180 -52.46 152.3 3.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' B' ' 428' ' ' LEU . . . -166.17 179.75 40.08 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.466 HG23 ' CZ ' ' A' ' 65' ' ' ARG . 71.9 t -121.33 142.59 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.464 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 11.7 p90 -147.01 149.39 35.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.83 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . 0.417 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -71.27 -5.64 33.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -111.3 1.91 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.499 HG22 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.63 179.47 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 415' ' ' GLN . 2.3 tt0 -129.59 145.57 51.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.09 131.23 34.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.14 118.48 52.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -78.65 120.28 80.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.42 13.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 m -68.21 135.5 91.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.445 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.58 22.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.473 1.775 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 162.04 37.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 128.05 35.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 65' ' ' ARG . 77.9 p -93.88 156.8 38.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.58 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.03 -179.05 4.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.87 106.82 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.58 ' NE ' ' O ' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -95.49 79.84 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -86.91 120.27 28.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' GLY . 65.4 m -104.69 127.32 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.461 ' O ' ' NE2' ' B' ' 442' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.468 ' NE ' ' N ' ' B' ' 403' ' ' ARG . 0.0 OUTLIER -68.49 -170.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.67 -41.6 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -112.86 155.04 25.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.92 160.0 44.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 133.79 17.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.54 30.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.28 -22.09 17.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 410' ' ' PHE . . . . . 0.508 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 17.3 t80 -35.91 150.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.773 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.2 mtt -110.64 -71.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.517 ' CE1' HG22 ' B' ' 438' ' ' VAL . 16.1 p90 -157.2 179.7 9.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 413' ' ' LYS . . . . . 0.491 ' HE3' ' CG1' ' B' ' 435' ' ' VAL . 0.0 OUTLIER -102.54 137.85 40.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 414' ' ' VAL . . . . . 0.473 HG13 ' CG2' ' B' ' 438' ' ' VAL . 0.9 OUTLIER -116.87 167.2 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -133.87 118.9 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.5 149.79 49.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.433 ' NE2' HD23 ' A' ' 56' ' ' LEU . 10.1 mt-30 -119.73 -0.21 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.501 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.6 m-70 -145.85 170.22 16.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.16 . . . . 0.0 109.61 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 419' ' ' ASP . . . . . 0.412 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 0.0 OUTLIER -111.25 103.27 11.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.605 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.4 t80 -116.19 109.62 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.9 113.91 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 422' ' ' ALA . . . . . 0.605 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.58 117.35 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 40.7 p -119.7 94.87 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 424' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t70 -140.86 -175.42 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.3 t -82.8 -9.67 59.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -161.86 44.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.495 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.6 OUTLIER -95.57 170.26 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 3.9 tp -126.87 113.1 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -77.66 136.99 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 430' ' ' LEU . . . . . 0.53 ' CD1' ' CG2' ' B' ' 436' ' ' VAL . 4.4 mm? -129.18 141.92 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.8 132.09 53.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 432' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -38.27 97.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.95 45.97 1.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 434' ' ' ASP . . . . . 0.476 ' OD2' ' CD1' ' B' ' 430' ' ' LEU . 18.9 t70 -108.78 169.52 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . 0.491 ' CG1' ' HE3' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -118.53 121.33 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 436' ' ' VAL . . . . . 0.53 ' CG2' ' CD1' ' B' ' 430' ' ' LEU . 3.2 t -130.45 139.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 437' ' ' LEU . . . . . 0.58 HD11 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -101.19 133.68 45.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 438' ' ' VAL . . . . . 0.517 HG22 ' CE1' ' B' ' 412' ' ' PHE . 49.7 t -86.9 110.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 439' ' ' ILE . . . . . 0.462 ' CD1' ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.99 153.94 48.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 441' ' ' PHE . . . . . 0.543 ' N ' ' CD1' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.82 -179.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -83.6 -24.99 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 443' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' B' ' 442' ' ' GLN . 2.3 m120 -162.91 154.58 15.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -17.61 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -23.92 61.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 5.9 mt-10 -84.08 -19.63 33.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.356 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.67 151.95 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.305 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 448' ' ' ASP . . . . . 0.469 ' CB ' HH11 ' A' ' 65' ' ' ARG . 30.5 t70 -122.93 149.44 44.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 449' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' B' ' 449' ' ' GLU . 5.1 pt-20 -68.88 117.84 11.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 450' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 94.64 -4.15 68.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 451' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' B' ' 474' ' ' PRO . 1.3 m95 -136.59 161.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.43 169.87 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 453' ' ' MET . . . . . 0.401 ' CE ' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.22 113.0 21.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 454' ' ' GLY . . . . . 0.462 ' HA2' ' CD1' ' B' ' 439' ' ' ILE . . . -137.25 178.08 19.29 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 455' ' ' VAL . . . . . 0.485 ' CG2' ' CB ' ' B' ' 459' ' ' ASP . 3.9 p -138.44 145.48 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -79.74 159.74 26.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 457' ' ' GLU . . . . . 0.457 ' CB ' HG21 ' B' ' 435' ' ' VAL . 2.0 tt0 -57.91 -44.39 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -36.74 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . 0.485 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 71.8 m-20 -68.1 -33.22 74.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 460' ' ' TRP . . . . . 0.58 ' CE3' HD11 ' B' ' 437' ' ' LEU . 4.1 t90 -52.52 -47.33 66.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -59.82 -26.61 65.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 462' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.4 OUTLIER -93.24 17.22 11.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -45.34 -24.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' B' ' 462' ' ' GLN . 4.2 pttt -57.96 -30.6 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.96 39.37 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -30.54 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.27 -18.92 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 9.04 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.13 -21.66 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.53 127.15 17.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 471' ' ' GLY . . . . . 0.401 ' O ' ' CE ' ' B' ' 453' ' ' MET . . . -150.55 -177.57 24.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.478 1.112 . . . . 0.0 111.009 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 472' ' ' VAL . . . . . 0.454 ' CG1' ' CZ ' ' A' ' 65' ' ' ARG . 39.9 t -118.48 149.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 473' ' ' PHE . . . . . 0.421 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 27.4 p90 -150.84 145.54 18.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 474' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 112.54 3.58 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 475' ' ' GLU . . . . . 0.412 ' HA ' ' OG1' ' B' ' 478' ' ' THR . 1.3 tt0 -68.32 -28.51 67.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.85 -6.57 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 477' ' ' PHE . . . . . 0.579 ' CG ' ' O ' ' B' ' 477' ' ' PHE . 0.0 OUTLIER -113.5 2.2 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 478' ' ' THR . . . . . 0.465 HG21 ' CD1' ' B' ' 477' ' ' PHE . 0.7 OUTLIER -128.04 177.16 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 479' ' ' GLU . . . . . 0.411 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.7 OUTLIER -134.07 146.69 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.255 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 480' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 0.3 OUTLIER -84.27 137.4 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.73 118.48 48.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.882 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.6 38.58 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 129.18 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.9 p -92.79 158.07 38.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.1 Cg_endo -75.05 133.42 16.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.06 143.26 28.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.83 -22.59 20.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.97 146.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.8 mtt -106.94 -71.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 23.8 p90 -156.59 -179.41 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.511 ' HZ3' HG11 ' B' ' 481' ' ' VAL . 0.2 OUTLIER -102.53 146.61 27.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.589 ' HA ' HG23 ' B' ' 481' ' ' VAL . 2.2 m -129.42 167.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -134.39 130.89 37.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.625 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -75.22 155.5 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.59 1.15 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.0 m-70 -144.93 170.02 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 11.5 p-10 -111.75 101.37 9.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.869 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.69 107.35 14.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.6 m -75.72 113.79 13.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.869 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.49 117.52 32.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -118.27 94.92 4.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 3.5 t0 -142.29 -174.81 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.0 t -86.66 -5.07 59.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.74 37.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.493 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.7 mm-40 -92.71 168.86 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.59 HD23 ' CA ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -125.97 113.92 17.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.773 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.9 tt0 -79.45 133.52 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.964 HD11 HG21 ' B' ' 436' ' ' VAL . 3.4 mm? -125.31 143.43 50.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -128.21 124.35 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.506 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -31.69 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 97.02 52.05 1.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.518 ' OD2' ' CD ' ' B' ' 456' ' ' LYS . 5.9 t70 -113.3 169.89 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.634 HG23 ' CB ' ' B' ' 457' ' ' GLU . 6.7 m -120.28 126.43 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.964 HG21 HD11 ' B' ' 430' ' ' LEU . 78.9 t -136.54 150.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.635 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.74 128.63 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.488 HG23 ' CG1' ' B' ' 414' ' ' VAL . 18.7 t -79.01 120.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.705 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -125.05 154.4 71.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 440' ' ' PRO . . . . . 0.403 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 115.78 4.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.3 t70 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 449' ' ' GLU . . . . . 0.541 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 6.9 pt-20 -74.74 111.14 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -5.72 64.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.615 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.6 OUTLIER -134.53 145.93 49.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -129.45 171.98 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.36 112.82 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.705 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.67 165.71 24.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.5 p -127.38 143.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.4 mtmp? -79.14 161.24 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.634 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.2 tt0 -57.8 -41.37 82.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.18 98.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.876 ' HB2' HG22 ' B' ' 455' ' ' VAL . 71.1 m-20 -62.06 -33.2 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.635 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.8 t90 -52.45 -47.7 66.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -58.06 -26.28 62.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.417 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.5 OUTLIER -93.16 17.86 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -24.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' B' ' 462' ' ' GLN . 9.9 mmtt -58.33 -30.89 67.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -134.16 41.98 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.64 -31.48 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -60.21 -19.38 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.18 7.48 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 -10.23 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -62.45 155.06 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.59 ' CA ' HD23 ' B' ' 428' ' ' LEU . . . -167.13 -179.52 40.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 18.5 t -121.93 144.52 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.765 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.4 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 10.6 p90 -148.04 150.06 34.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.606 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.04 117.27 4.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.8 tt0 -69.41 -28.72 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.2 -5.73 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -110.53 0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.3 p -127.34 176.94 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -129.5 143.33 50.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 4.2 mtt180 -79.58 141.74 36.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' B' ' 414' ' ' VAL . 21.7 t -119.71 119.57 31.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.943 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.98 37.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.0 128.89 39.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.2 p -92.13 157.59 40.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.542 1.811 . . . . 0.0 111.016 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.96 134.18 17.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.428 1.752 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.5 Cg_endo -74.98 143.04 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.74 -23.25 17.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.9 t80 -36.14 146.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.9 mtt -106.79 -71.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 23.8 p90 -156.79 179.95 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.611 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.4 OUTLIER -98.39 146.56 25.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.694 ' CG1' HG23 ' B' ' 438' ' ' VAL . 10.5 m -124.69 166.36 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 1.6 tp-100 -134.41 119.62 18.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.636 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.53 149.45 50.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -121.56 -0.06 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.584 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 79.3 m80 -147.65 168.94 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -109.1 105.27 14.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.828 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.8 t80 -115.87 109.5 17.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -77.36 112.98 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.828 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.93 117.91 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.7 p -118.35 93.96 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 7.4 t0 -141.9 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -89.09 2.49 54.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -168.56 35.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.34 170.81 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.503 HD23 HD21 ' B' ' 430' ' ' LEU . 5.7 tp -129.12 114.17 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.429 ' C ' HD22 ' B' ' 430' ' ' LEU . 4.1 tt0 -80.96 131.03 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.84 HD11 HG21 ' B' ' 436' ' ' VAL . 4.2 mm? -121.89 140.24 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.9 128.8 51.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.34 102.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.57 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 8.5 t0 -109.87 167.56 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.622 HG23 ' CB ' ' B' ' 457' ' ' GLU . 4.8 m -119.08 119.9 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.84 HG21 HD11 ' B' ' 430' ' ' LEU . 20.7 t -129.32 149.96 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.658 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -110.04 124.94 52.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.694 HG23 ' CG1' ' B' ' 414' ' ' VAL . 43.8 t -77.18 113.98 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.726 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 153.88 54.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.2 t0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 449' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.3 OUTLIER -74.22 111.07 9.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.1 -4.13 62.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.685 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.85 149.66 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.685 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -135.88 172.36 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.45 112.49 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.039 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.726 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.12 175.4 20.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.586 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.1 p -138.02 143.58 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.485 ' CG ' HG22 ' B' ' 436' ' ' VAL . 2.9 mtmp? -79.05 160.05 27.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.622 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.7 tt0 -58.36 -42.78 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -41.75 94.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.469 ' HB3' ' CG2' ' B' ' 455' ' ' VAL . 11.3 m-20 -64.37 -31.91 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.658 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.8 t90 -51.23 -47.54 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 461' ' ' ASN . . . . . 0.401 ' HB2' ' NE2' ' B' ' 462' ' ' GLN . 19.2 m120 -54.21 -25.95 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.447 ' C ' ' N ' ' B' ' 464' ' ' LYS . 35.7 mm-40 -93.22 17.36 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 463' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' B' ' 460' ' ' TRP . 8.8 t60 -45.45 -22.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.9 OUTLIER -57.72 -30.17 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.07 45.83 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.2 OUTLIER -54.32 -32.65 57.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 467' ' ' GLU . . . . . 0.412 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 5.4 mt-10 -62.06 -17.38 57.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 6.26 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.401 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -114.84 -9.02 12.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 470' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 4.1 mtm180 -59.42 149.54 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.1 171.97 36.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 37.9 t -119.77 142.88 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -149.58 151.95 34.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.595 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.8 tt0 -68.93 -29.23 67.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.77 -5.91 37.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.942 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.3 3.41 18.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.942 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.4 p -130.26 -179.33 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 149.8 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -88.44 140.67 29.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 49.0 t -116.83 127.52 26.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.458 1.768 . . . . 0.0 111.022 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.416 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.05 36.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 130.0 44.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 93.2 p -91.12 156.96 43.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.0 133.45 16.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.04 142.88 28.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.63 -22.95 18.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.484 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.47 149.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 0.797 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.8 mtt -110.74 -71.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.484 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 21.1 p90 -158.56 -179.87 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.617 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -99.93 145.42 27.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 436' ' ' VAL . 9.6 m -123.92 166.63 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -133.49 119.69 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.58 150.94 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -121.87 -0.51 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.581 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.9 m-70 -145.97 169.43 18.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 8.0 p-10 -110.29 102.77 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.845 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.4 t80 -113.61 106.46 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 6.4 m -76.1 113.57 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.387 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.845 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -112.76 118.33 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 58.6 p -117.91 94.79 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.46 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.41 -175.22 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 15.3 t -86.35 0.88 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -171.55 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.1 mm-40 -91.94 169.5 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.492 HD13 ' HA3' ' B' ' 471' ' ' GLY . 6.4 tp -124.11 113.55 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.602 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.3 tt0 -82.39 132.53 35.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.887 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -125.02 138.72 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.0 128.5 52.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.01 101.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.39 47.89 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.491 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 29.4 t0 -111.86 169.18 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' B' ' 457' ' ' GLU . 1.3 m -118.92 126.06 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.887 HG21 HD11 ' B' ' 430' ' ' LEU . 25.1 t -134.95 146.54 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.649 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -107.08 127.28 53.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.591 HG23 ' CG1' ' B' ' 414' ' ' VAL . 42.7 t -79.72 110.54 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.714 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.31 154.14 48.78 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 116.19 4.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.619 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 9.4 t0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 449' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 5.4 pt-20 -71.53 113.7 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.0 -4.28 62.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.668 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -135.46 152.39 51.32 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.668 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -137.86 170.9 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.14 113.01 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.714 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.46 168.44 23.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.858 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.9 p -130.99 144.94 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CE ' ' O ' ' B' ' 429' ' ' GLN . 0.1 OUTLIER -78.04 159.53 28.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.63 ' HB3' HG23 ' B' ' 435' ' ' VAL . 3.5 tt0 -58.04 -37.74 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.96 96.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.858 ' HB2' HG22 ' B' ' 455' ' ' VAL . 20.9 m-20 -61.09 -33.34 73.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.649 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.14 -47.23 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.051 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -56.07 -26.2 48.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.6 OUTLIER -98.81 17.01 20.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -45.78 -23.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.7 tttp -57.97 -30.88 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -131.62 46.19 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.73 -30.44 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.11 -17.8 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -115.65 7.48 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 16.4 m -109.76 -23.64 11.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.256 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -50.83 130.83 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -145.81 -177.85 20.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 9.4 t -128.05 143.01 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -151.34 152.24 30.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.594 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 117.77 5.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.546 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.2 tt0 -69.75 -30.8 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -71.16 -6.36 38.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.929 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -109.4 1.74 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.929 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.33 179.44 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -131.69 146.58 52.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 134.36 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' B' ' 482' ' ' PRO . 57.6 t -106.05 137.47 19.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 482' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 481' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.33 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 129.29 41.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -92.09 158.12 39.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.01 133.72 16.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 144.68 30.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.12 -22.17 16.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.39 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 411' ' ' MET . . . . . 0.444 ' CE ' HG12 ' B' ' 438' ' ' VAL . 10.2 mtt -107.97 -71.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' B' ' 438' ' ' VAL . 18.6 p90 -159.48 179.76 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.504 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -100.2 143.81 29.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.669 HG13 HG23 ' B' ' 438' ' ' VAL . 4.3 m -122.72 167.1 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -133.35 118.66 18.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.61 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.36 148.45 51.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -119.31 -1.54 10.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.599 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 76.7 m80 -143.92 169.34 17.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 0.0 OUTLIER -110.5 101.99 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.959 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.5 t80 -115.57 113.6 23.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 7.7 m -80.3 113.57 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.959 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.51 116.46 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 26.6 p -120.16 93.53 4.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.504 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.5 t0 -142.33 -175.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 425' ' ' THR . . . . . 0.407 ' O ' ' OD1' ' B' ' 426' ' ' ASP . 9.9 t -78.94 -14.94 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 426' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 425' ' ' THR . 1.0 OUTLIER -153.69 39.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.653 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -91.68 163.27 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.433 HD13 ' HA3' ' B' ' 471' ' ' GLY . 5.9 tp -125.98 113.01 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.692 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.3 tt0 -76.24 137.09 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 1.013 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -129.95 141.88 50.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -123.83 132.23 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -39.02 97.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.22 45.84 1.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.676 ' OD2' HD13 ' B' ' 430' ' ' LEU . 20.2 t70 -108.16 169.45 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' B' ' 457' ' ' GLU . 2.7 m -118.56 128.02 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 1.013 HG21 HD11 ' B' ' 430' ' ' LEU . 54.5 t -137.0 149.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.791 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -112.18 127.5 55.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.686 HG21 ' CE1' ' B' ' 412' ' ' PHE . 28.2 t -78.85 115.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.725 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -122.13 153.67 61.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 440' ' ' PRO . . . . . 0.407 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.12 4.49 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.614 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.0 t0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.41 113.33 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -3.25 62.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.614 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.0 OUTLIER -136.14 151.61 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.597 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -139.29 170.65 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.22 113.19 22.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.725 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.15 174.98 20.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.791 HG13 ' HG ' ' B' ' 437' ' ' LEU . 11.6 p -136.53 143.55 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.421 ' CG ' HG22 ' B' ' 436' ' ' VAL . 0.5 OUTLIER -80.24 160.61 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' B' ' 435' ' ' VAL . 5.1 tt0 -57.9 -41.64 83.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -35.53 80.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.746 ' HB2' HG22 ' B' ' 455' ' ' VAL . 87.1 m-20 -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.723 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -51.94 -47.83 64.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -55.19 -26.07 36.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.4 OUTLIER -93.95 16.72 13.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -45.75 -23.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' B' ' 462' ' ' GLN . 13.6 pttt -58.15 -29.8 65.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -133.16 43.46 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -55.1 -31.7 61.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.15 -21.26 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.15 7.45 15.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 -23.12 11.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 470' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 2.3 mtt180 -50.62 151.0 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.433 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -160.45 -179.72 35.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 51.7 t -123.6 142.99 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -151.09 152.19 30.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.614 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 115.58 4.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.48 ' CD ' HD11 ' B' ' 452' ' ' LEU . 1.1 tt0 -68.98 -31.58 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.2 OUTLIER -69.01 -8.03 41.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.911 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -108.23 1.31 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 111.014 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.911 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -127.25 174.84 8.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.74 147.12 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -85.74 136.23 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' B' ' 482' ' ' PRO . 23.0 t -107.18 140.35 21.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 482' ' ' PRO . . . . . 0.454 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.94 38.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.76 130.38 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 p -92.13 158.19 39.7 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.011 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.407 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.0 134.83 18.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 143.13 28.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.02 -22.48 22.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.09 146.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -105.72 -71.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.515 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 15.8 p90 -160.28 179.55 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.5 145.17 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.613 ' CG1' HG23 ' B' ' 438' ' ' VAL . 2.9 m -125.42 166.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.9 121.53 21.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.612 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -68.88 151.95 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -121.07 -0.63 9.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 81.6 m-70 -145.58 169.86 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.667 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.28 103.61 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.84 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.1 t80 -115.3 109.62 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 8.4 m -78.3 113.17 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.84 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.6 117.23 31.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.0 p -119.6 93.02 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t0 -141.83 -175.14 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 3.6 t -81.66 -11.33 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.93 39.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.59 ' CG ' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -91.84 161.77 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.489 HD22 ' O ' ' B' ' 454' ' ' GLY . 12.4 tp -122.61 113.1 18.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.551 ' C ' HD22 ' B' ' 430' ' ' LEU . 2.3 tt0 -78.37 137.06 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 1.007 HD11 HG21 ' B' ' 436' ' ' VAL . 3.7 mm? -130.37 143.81 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.38 132.74 53.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -38.94 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.29 48.77 1.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.528 ' OD2' HD13 ' B' ' 430' ' ' LEU . 30.0 t70 -111.63 169.4 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.597 HG23 ' CB ' ' B' ' 457' ' ' GLU . 9.2 m -117.04 128.33 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 1.007 HG21 HD11 ' B' ' 430' ' ' LEU . 19.6 t -138.11 148.76 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.854 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -108.78 132.82 53.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' B' ' 414' ' ' VAL . 37.1 t -86.25 110.68 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.73 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -115.88 153.75 48.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 6.6 t0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.76 112.3 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.04 63.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.886 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.45 150.85 50.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.886 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -139.08 172.17 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.79 113.47 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.73 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.03 174.37 21.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.854 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.9 p -136.66 146.05 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.422 ' CG ' HG22 ' B' ' 436' ' ' VAL . 0.9 OUTLIER -81.8 160.88 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.597 ' CB ' HG23 ' B' ' 435' ' ' VAL . 4.4 tt0 -58.25 -42.15 85.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -44.36 97.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.9 -33.17 73.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.475 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.6 t90 -52.97 -47.8 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -54.77 -26.03 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' B' ' 464' ' ' LYS . 63.8 mm-40 -91.82 17.94 8.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 463' ' ' HIS . . . . . 0.548 ' O ' HD23 ' B' ' 466' ' ' LEU . 3.1 t60 -45.05 -24.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.45 -30.45 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.76 49.21 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 463' ' ' HIS . 1.1 pp -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.83 -17.08 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.43 7.66 15.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.43 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.5 OUTLIER -108.93 -23.81 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -50.34 142.46 10.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.98 178.83 35.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 29.2 t -124.69 142.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -149.05 152.54 36.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.795 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.5 tt0 -68.28 -27.62 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -72.8 -6.85 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.874 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -109.96 2.38 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.874 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -127.23 177.23 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.4 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.28 143.71 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -82.69 134.25 35.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.5 HG23 ' HA ' ' B' ' 414' ' ' VAL . 39.9 t -103.95 115.92 62.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.74 38.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 128.78 38.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 p -93.61 158.64 36.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -75.04 135.17 18.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.97 137.1 21.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.91 -22.54 21.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.1 t80 -36.5 147.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 411' ' ' MET . . . . . 0.455 ' CE ' ' CG1' ' B' ' 438' ' ' VAL . 7.2 mtt -104.55 -70.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 16.1 p90 -159.05 174.7 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.43 ' HZ3' ' HB3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -95.14 141.26 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.847 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.2 m -123.86 165.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.12 121.45 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.11 150.88 48.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.51 -0.83 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.614 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.4 m-70 -142.93 168.88 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -110.3 103.0 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.815 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.8 t80 -115.81 110.32 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -82.02 114.43 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.815 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -109.52 117.38 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 60.7 p -116.94 92.68 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.57 -174.56 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.7 t -91.82 7.36 42.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -177.64 59.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.463 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.4 OUTLIER -119.02 171.37 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.412 HD13 ' HA3' ' B' ' 471' ' ' GLY . 7.0 tp -122.79 113.53 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.744 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.0 tt0 -80.64 134.9 35.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.929 HD11 HG21 ' B' ' 436' ' ' VAL . 3.5 mm? -126.22 138.62 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -122.64 124.71 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -33.76 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.2 46.9 1.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.51 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.8 t0 -109.91 169.08 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.583 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.1 OUTLIER -119.08 115.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.929 HG21 HD11 ' B' ' 430' ' ' LEU . 10.1 t -127.72 143.02 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.951 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.1 OUTLIER -107.99 132.96 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.455 ' CG1' ' CE ' ' B' ' 411' ' ' MET . 4.3 t -83.01 112.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.767 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.54 151.19 49.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.503 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 23.5 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.71 111.55 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.06 -3.92 62.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.601 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.9 OUTLIER -135.77 143.36 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.43 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -129.16 171.28 12.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.767 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -133.73 176.57 19.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.951 HG13 ' HG ' ' B' ' 437' ' ' LEU . 4.1 p -138.22 144.94 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -78.06 162.72 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.0 tt0 -59.56 -45.26 92.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -43.34 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.502 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 59.7 m-20 -59.74 -32.03 70.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.681 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.6 t90 -52.47 -46.99 66.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -67.43 -24.57 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.46 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.1 OUTLIER -84.3 17.91 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -23.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.1 OUTLIER -57.02 -30.28 64.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 49.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.438 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -61.4 -31.09 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.89 -29.08 59.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 8.42 39.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -102.66 -22.53 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -50.87 137.61 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.412 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -156.97 179.22 32.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 10.1 t -122.45 143.33 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.442 ' HZ ' HG22 ' B' ' 438' ' ' VAL . 16.9 p90 -148.54 148.48 28.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.601 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.36 -29.26 67.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.54 -6.17 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.886 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.51 1.15 15.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.886 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.95 171.72 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -125.91 144.55 50.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.1 OUTLIER -82.8 136.68 34.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' B' ' 414' ' ' VAL . 28.0 t -112.04 117.6 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.959 -0.439 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.89 37.88 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 129.37 41.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 p -92.56 158.03 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -75.01 134.05 17.33 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -74.99 145.31 31.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.87 -21.02 21.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.495 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 20.0 t80 -36.87 151.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.27 -70.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 20.0 p90 -158.12 -179.93 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.659 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -101.92 144.09 30.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.809 HG22 ' O ' ' B' ' 436' ' ' VAL . 10.1 m -122.78 165.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.6 OUTLIER -133.2 119.1 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.618 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.53 142.79 57.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -114.35 -1.26 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.611 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 51.4 m80 -144.65 170.41 16.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 9.3 p-10 -111.07 105.72 14.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.97 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.5 t80 -115.76 124.44 50.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -88.15 114.2 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.97 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.5 116.39 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -119.46 93.15 3.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.453 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 5.5 t0 -142.9 -175.2 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -89.76 0.15 57.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -164.22 32.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.483 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.8 mm-40 -91.03 167.56 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.847 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -128.08 113.59 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.582 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.0 tt0 -77.59 139.66 39.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 1.036 HD11 HG21 ' B' ' 436' ' ' VAL . 4.1 mm? -129.73 143.06 50.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.529 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.58 125.23 39.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.15 108.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.63 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.605 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 5.0 t0 -104.79 165.55 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.659 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -119.68 115.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 1.036 HG21 HD11 ' B' ' 430' ' ' LEU . 53.5 t -125.92 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.644 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -105.62 131.92 52.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.525 HG23 HG13 ' B' ' 414' ' ' VAL . 52.9 t -83.6 110.85 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.695 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.03 153.37 52.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.475 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 34.6 t70 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.71 117.42 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.12 -5.3 68.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.702 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -135.93 156.99 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.702 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -145.91 171.73 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 453' ' ' MET . . . . . 0.624 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.21 112.66 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.695 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.32 165.64 25.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.925 HG22 ' HB2' ' B' ' 459' ' ' ASP . 2.2 p -126.39 145.27 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 109.246 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.47 ' CG ' HG22 ' B' ' 436' ' ' VAL . 2.1 mtmp? -78.61 162.64 26.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.597 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.3 tt0 -58.19 -42.56 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -35.59 80.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.925 ' HB2' HG22 ' B' ' 455' ' ' VAL . 23.8 m-20 -66.29 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.644 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.5 -47.89 66.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.3 OUTLIER -93.2 17.75 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 463' ' ' HIS . . . . . 0.518 ' O ' HD23 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -45.4 -23.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 16.6 mtmt -58.28 -30.76 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -138.63 51.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.518 HD23 ' O ' ' B' ' 463' ' ' HIS . 1.7 pp -62.44 -30.55 71.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.4 -34.31 61.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 7.78 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.69 -18.36 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 470' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 2.3 mtt180 -58.39 151.6 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.847 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -165.44 -178.61 38.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 71.0 t -118.94 143.13 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.463 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 15.8 p90 -146.4 149.68 38.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.579 ' HB3' HD21 ' B' ' 452' ' ' LEU . 2.6 tt0 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.7 OUTLIER -73.05 -4.98 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.924 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.18 4.26 15.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.924 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.15 174.33 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -125.5 144.32 50.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.552 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 3.7 mtt180 -82.28 131.63 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' B' ' 415' ' ' GLN . 49.0 t -113.97 131.63 23.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.462 1.77 . . . . 0.0 110.983 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.53 38.59 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.53 129.69 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.8 p -92.83 158.92 37.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.416 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -74.96 135.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.34 20.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 409' ' ' GLY . . . . . . . . . . . . . . . 91.22 -22.01 31.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.3 t80 -36.88 147.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.76 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.75 -68.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.692 ' CZ ' HG21 ' B' ' 438' ' ' VAL . 19.7 p90 -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.484 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -104.24 147.12 27.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.626 ' CG1' HG23 ' B' ' 438' ' ' VAL . 1.4 m -131.38 167.68 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -133.33 129.74 37.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.735 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -73.46 143.39 46.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.465 ' NE2' ' OE2' ' B' ' 479' ' ' GLU . 3.3 mt-30 -113.1 -2.77 14.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 78.4 m-70 -143.6 170.12 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.654 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -111.0 102.36 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 1.012 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.6 t80 -115.55 115.25 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -81.5 114.0 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 1.012 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.88 116.07 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -120.17 93.3 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.65 -175.19 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -79.66 -12.71 59.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -156.06 41.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.72 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.3 OUTLIER -94.3 162.86 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.864 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.48 112.64 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.536 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -76.22 136.81 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.943 HD11 ' CG2' ' B' ' 436' ' ' VAL . 3.3 mm? -128.68 147.65 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.459 ' CD ' ' OD1' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -127.9 130.34 48.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.03 98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.38 49.74 1.52 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.529 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 3.0 t70 -109.74 173.0 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.7 OUTLIER -120.78 125.75 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.943 ' CG2' HD11 ' B' ' 430' ' ' LEU . 20.1 t -135.56 148.54 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.601 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.7 122.45 47.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.692 HG21 ' CZ ' ' B' ' 412' ' ' PHE . 43.7 t -72.87 111.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.783 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.15 153.58 55.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.18 4.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 29.3 t70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.25 114.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.34 64.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.657 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -135.1 160.27 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.657 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -147.88 170.95 16.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 453' ' ' MET . . . . . 0.551 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -86.84 112.83 22.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.783 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.65 165.47 24.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.727 HG12 HD12 ' B' ' 439' ' ' ILE . 7.3 p -125.62 143.5 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.738 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.1 OUTLIER -80.93 161.97 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.3 tt0 -58.44 -39.39 79.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -45.44 91.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 76.8 m-20 -59.73 -31.61 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.601 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.07 -48.01 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -67.29 -24.02 65.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' B' ' 464' ' ' LYS . 69.1 mm-40 -82.73 17.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.322 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.05 -23.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.9 tttt -56.59 -30.05 62.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.68 52.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.453 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.4 OUTLIER -61.33 -31.67 71.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.74 -17.78 25.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 8.07 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -104.01 -29.33 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -50.93 142.58 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.864 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -158.84 -177.22 31.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 40.0 t -121.3 142.92 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.7 p90 -147.88 149.61 33.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.605 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 115.47 4.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.514 ' CB ' HD21 ' B' ' 452' ' ' LEU . 1.5 tt0 -68.5 -30.09 68.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -6.15 39.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.8 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.1 OUTLIER -111.26 2.22 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.8 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.1 p -127.0 177.21 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 479' ' ' GLU . . . . . 0.465 ' OE2' ' NE2' ' B' ' 417' ' ' GLN . 4.7 tt0 -129.92 140.48 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.46 ' HD2' ' CE2' ' B' ' 412' ' ' PHE . 14.6 mtm-85 -80.19 136.83 36.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' B' ' 414' ' ' VAL . 59.6 t -105.19 116.32 60.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.32 37.25 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 130.73 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 p -90.99 158.63 41.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -74.97 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.01 140.63 25.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.812 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 91.05 -22.57 28.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 18.9 t80 -35.97 152.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.3 mtt -112.47 -69.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.4 p90 -160.35 174.22 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.558 ' HG2' HD22 ' B' ' 437' ' ' LEU . 0.0 OUTLIER -96.83 135.59 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.857 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.5 m -121.07 167.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.1 OUTLIER -135.11 134.96 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.852 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -78.62 155.21 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -121.98 -0.25 9.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.591 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 76.1 m80 -144.67 169.42 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -108.36 105.26 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.895 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.52 111.67 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -77.89 113.55 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.895 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.29 117.07 31.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 66.7 p -118.91 93.93 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.8 t0 -141.46 -174.93 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 10.2 t -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -164.7 40.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 1.7 mm-40 -93.38 170.39 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.647 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -127.34 112.98 15.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.757 ' C ' HD22 ' B' ' 430' ' ' LEU . 2.5 tt0 -77.22 140.42 40.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 1.054 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -130.64 144.99 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.476 ' CD ' ' HB2' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -129.37 130.07 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.94 99.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.9 42.44 2.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.654 ' OD2' HD13 ' B' ' 430' ' ' LEU . 21.2 t70 -106.47 169.1 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.771 . . . . 0.0 109.303 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.2 OUTLIER -117.46 126.82 74.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 1.054 HG21 HD11 ' B' ' 430' ' ' LEU . 15.5 t -137.1 136.15 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.768 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -98.73 132.75 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.537 HG23 ' CG1' ' B' ' 414' ' ' VAL . 38.9 t -84.73 110.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.704 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.45 154.31 48.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.622 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.9 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.45 111.88 6.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.51 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.16 -2.12 61.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.83 140.4 42.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.554 HD11 ' CD ' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -127.36 169.84 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.38 112.56 22.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.704 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.67 170.94 22.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.768 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.4 p -131.63 142.49 43.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.08 160.9 28.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.538 ' HB3' HG23 ' B' ' 435' ' ' VAL . 4.9 tt0 -58.56 -40.06 82.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -37.48 87.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.722 ' HB2' HG22 ' B' ' 455' ' ' VAL . 63.3 m-20 -67.14 -32.64 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.654 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -51.42 -47.71 62.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -57.08 -25.78 59.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.1 OUTLIER -91.8 16.82 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.12 -23.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.1 ptmt -57.61 -30.53 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -135.45 49.65 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.4 OUTLIER -59.65 -31.75 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.65 -32.09 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.97 8.56 32.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.6 -18.78 13.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 470' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.8 mtt180 -55.06 154.45 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.647 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -164.11 -178.15 37.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.16 143.36 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -151.08 153.14 32.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.609 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.554 ' CD ' HD11 ' B' ' 452' ' ' LEU . 1.3 tt0 -68.9 -30.33 68.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.33 -18.51 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 1.017 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -99.99 3.66 44.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 478' ' ' THR . . . . . 1.017 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -132.65 175.15 9.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.31 128.49 25.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.491 ' HA ' HG12 ' B' ' 414' ' ' VAL . 8.8 ptt180 -76.06 141.85 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 11.9 t -98.87 122.35 53.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.567 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 162.86 36.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -58.67 127.84 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.406 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 65.8 p -93.29 158.07 37.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.96 134.48 17.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 144.18 29.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.42 ' HA3' ' CG ' ' B' ' 440' ' ' PRO . . . 87.69 -19.89 30.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 15.6 t80 -37.13 149.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 0.722 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 411' ' ' MET . . . . . 0.488 ' CE ' HG12 ' B' ' 438' ' ' VAL . 11.5 mtt -107.44 -71.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 19.0 p90 -159.58 -179.78 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.482 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.3 OUTLIER -98.69 143.65 28.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.611 ' CG1' HG23 ' B' ' 438' ' ' VAL . 3.8 m -124.77 165.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.2 OUTLIER -132.89 123.86 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.669 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -72.01 144.09 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -115.88 -4.89 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 76.3 m-70 -138.44 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -111.03 105.75 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.839 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.7 t80 -115.89 123.11 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -91.39 113.24 25.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.839 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -106.97 117.4 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.3 p -116.88 91.91 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.411 ' H ' ' CG ' ' B' ' 427' ' ' GLU . 2.9 t0 -144.5 -173.65 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 10.39 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.16 52.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.574 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.1 OUTLIER -110.0 171.73 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.71 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -122.71 113.16 18.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.692 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.3 tt0 -80.43 136.31 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.98 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -126.7 141.97 51.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.2 123.93 37.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.92 104.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.03 49.56 2.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.548 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.2 t70 -111.19 170.12 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.625 HG23 ' CB ' ' B' ' 457' ' ' GLU . 2.0 m -119.98 119.79 61.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.98 HG21 HD11 ' B' ' 430' ' ' LEU . 24.7 t -130.45 149.32 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.781 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -113.04 127.44 56.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.611 HG23 ' CG1' ' B' ' 414' ' ' VAL . 59.1 t -78.28 115.97 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.696 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -124.43 153.91 69.28 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 440' ' ' PRO . . . . . 0.42 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.2 Cg_endo -75.01 116.57 4.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.587 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.9 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 108.05 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.538 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 98.68 -1.62 58.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.4 OUTLIER -138.12 138.27 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.442 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -123.4 171.1 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 453' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' B' ' 441' ' ' PHE . 0.2 OUTLIER -86.46 112.83 21.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.696 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.86 173.11 21.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.781 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.5 p -133.4 144.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.522 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.5 mtmp? -81.68 161.31 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.625 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.6 tt0 -58.1 -42.99 86.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.68 ' HB2' HG22 ' B' ' 455' ' ' VAL . 1.5 m-20 -63.37 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.652 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -52.08 -47.97 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.95 -26.18 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.7 OUTLIER -97.2 17.83 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -45.55 -23.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.611 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.73 -30.19 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -135.21 51.36 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.7 OUTLIER -68.85 -30.13 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -53.01 -32.48 46.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -109.71 8.64 24.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.11 -22.17 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 470' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 11.3 mtt180 -51.78 153.18 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.71 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -158.08 -178.61 32.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 9.8 t -122.84 143.19 36.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -149.89 150.2 29.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -31.49 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.404 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.3 p30 -70.17 -6.58 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.894 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -110.55 0.6 17.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.894 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.03 173.16 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.41 145.86 47.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.7 OUTLIER -88.09 126.09 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.33 130.58 24.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.31 38.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.08 128.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 p -92.95 159.07 36.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -75.0 135.45 19.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.99 135.42 19.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 93.03 -23.71 28.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' B' ' 409' ' ' GLY . 22.8 t80 -36.23 149.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.3 mtt -112.01 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 30.0 p90 -154.42 -179.57 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 111.05 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.63 152.15 21.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.598 HG22 ' O ' ' B' ' 436' ' ' VAL . 5.0 m -130.56 165.95 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.98 123.08 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.975 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -70.02 141.77 52.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -113.59 -2.2 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 83.5 m-70 -143.62 169.23 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' B' ' 431' ' ' LYS . 12.9 t70 -111.75 103.88 12.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 1.119 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.9 t80 -116.24 125.33 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -87.27 113.17 22.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 1.119 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.89 116.15 29.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.5 p -120.1 93.76 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.7 t70 -142.61 -175.25 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.6 t -88.58 -4.84 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.33 35.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -93.23 170.65 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.889 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -131.77 113.79 13.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.788 ' O ' HD22 ' B' ' 430' ' ' LEU . 2.5 tt0 -75.67 139.9 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.975 HD12 ' HB2' ' B' ' 416' ' ' ALA . 3.2 mm? -130.36 140.3 50.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.34 125.01 43.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -32.72 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.58 47.5 2.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.586 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 8.2 t0 -108.83 170.09 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.643 HG23 ' CB ' ' B' ' 457' ' ' GLU . 13.7 m -119.54 124.24 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.598 ' O ' HG22 ' B' ' 414' ' ' VAL . 42.7 t -136.13 149.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.78 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.76 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.557 HG23 ' CG1' ' B' ' 414' ' ' VAL . 3.2 t -84.87 113.03 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.671 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.41 153.28 51.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.2 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.77 112.72 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.65 -5.06 66.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CE3' ' HD3' ' B' ' 474' ' ' PRO . 1.2 m95 -134.01 146.52 50.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -129.43 170.71 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 453' ' ' MET . . . . . 0.423 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -88.99 113.37 24.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.671 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.82 175.85 20.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.78 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.6 p -136.67 144.11 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.328 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.467 ' CG ' HG22 ' B' ' 436' ' ' VAL . 1.9 mtmp? -79.73 160.73 26.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.643 ' CB ' HG23 ' B' ' 435' ' ' VAL . 1.9 tt0 -58.09 -42.64 86.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 1.6 t -59.89 -44.13 94.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 82.9 m-20 -59.73 -32.13 70.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.67 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.8 -47.46 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -67.12 -24.91 65.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.444 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -84.52 17.89 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -45.22 -23.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.633 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mmtt -56.89 -30.08 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.14 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.459 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -62.55 -31.48 72.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 467' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 4.5 mt-10 -59.08 -17.7 28.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -115.15 8.16 15.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.7 OUTLIER -105.08 -26.87 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.258 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.34 139.52 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.889 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -155.69 -178.77 30.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 54.8 t -120.86 142.77 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -145.74 147.56 33.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.622 ' HD3' ' CE3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -69.09 -31.57 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -70.32 -5.55 28.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.927 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.16 0.68 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.927 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.9 OUTLIER -128.16 177.67 6.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.21 145.08 51.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.9 mtt180 -84.78 137.56 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.578 HG13 ' HD2' ' B' ' 482' ' ' PRO . 84.6 t -111.52 141.15 23.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 482' ' ' PRO . . . . . 0.578 ' HD2' HG13 ' B' ' 481' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.25 39.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 128.2 35.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.9 p -93.77 157.89 37.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -74.94 135.07 18.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.98 144.98 30.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.062 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.48 -21.78 19.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.442 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 16.7 t80 -36.74 146.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.9 mtt -108.43 -69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.442 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 28.0 p90 -157.92 -179.84 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.747 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.3 OUTLIER -102.76 146.38 28.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.601 ' CG1' HG23 ' B' ' 438' ' ' VAL . 2.8 m -125.63 167.65 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -134.52 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 1.05 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -73.14 146.78 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -116.76 -2.32 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.2 m-70 -143.21 170.95 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 11.9 p-10 -111.83 102.1 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 1.094 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.7 t80 -115.95 118.69 33.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 45.6 m -85.47 113.74 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 1.094 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.8 115.9 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.3 p -120.56 93.65 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.3 t0 -142.05 -175.41 4.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -76.35 -16.25 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.88 43.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.831 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.5 OUTLIER -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.352 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.7 tp -123.4 113.32 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.76 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.1 tt0 -77.19 136.96 38.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 1.05 HD12 ' HB2' ' B' ' 416' ' ' ALA . 3.6 mm? -128.95 140.28 51.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.25 126.26 46.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.24 98.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.11 48.06 1.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.525 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 9.8 t0 -109.75 169.0 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.747 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.7 OUTLIER -120.48 122.19 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.939 HG22 ' HG3' ' B' ' 456' ' ' LYS . 39.1 t -131.07 148.92 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.856 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.88 125.14 52.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.601 HG23 ' CG1' ' B' ' 414' ' ' VAL . 24.2 t -78.74 110.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.695 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.8 153.72 49.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.03 4.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.501 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 27.9 t70 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.83 115.43 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.03 -4.49 65.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.057 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.811 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.1 m95 -134.96 161.48 35.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.811 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -148.67 172.29 14.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 453' ' ' MET . . . . . 0.424 ' HE2' ' HA ' ' B' ' 453' ' ' MET . 0.0 OUTLIER -86.48 112.94 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.695 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -138.64 174.69 21.91 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.856 HG13 ' HG ' ' B' ' 437' ' ' LEU . 12.1 p -136.64 140.87 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.939 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.1 OUTLIER -78.19 161.73 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.656 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.6 tt0 -58.15 -36.33 72.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.04 74.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.513 ' HB2' HG22 ' B' ' 455' ' ' VAL . 0.9 OUTLIER -60.04 -32.83 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.621 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.1 t90 -51.97 -47.95 64.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -56.0 -25.69 45.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.2 OUTLIER -90.32 17.38 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 463' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -45.61 -23.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.576 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mttt -58.1 -31.45 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 465' ' ' LYS . . . . . 0.44 ' HB3' ' CG ' ' B' ' 468' ' ' LYS . 3.2 mttt -142.94 57.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.94 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -54.51 -33.67 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 468' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -104.53 8.75 35.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.404 ' SG ' ' OD2' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -113.95 -10.02 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.355 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -55.29 156.57 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -165.22 178.01 40.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 44.4 t -120.62 143.38 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.526 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.1 p90 -141.84 144.97 34.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.709 ' HB3' HD21 ' B' ' 452' ' ' LEU . 2.3 tt0 -68.04 -27.56 66.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.4 OUTLIER -72.12 -5.66 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.857 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -116.6 3.38 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.857 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.6 OUTLIER -128.64 175.87 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.38 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -130.95 141.19 50.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.44 ' HD2' ' CE1' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -80.9 139.71 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' B' ' 414' ' ' VAL . 40.0 t -111.5 135.95 21.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.462 1.77 . . . . 0.0 111.006 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.41 37.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -59.5 128.58 37.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.2 p -92.98 158.57 37.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.02 133.91 17.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -74.98 144.61 30.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.26 -22.01 17.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.472 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.5 t80 -36.51 147.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 411' ' ' MET . . . . . 0.447 ' CE ' HG12 ' B' ' 438' ' ' VAL . 10.0 mtt -108.1 -70.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' B' ' 438' ' ' VAL . 20.5 p90 -157.72 -179.84 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.678 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -103.04 145.29 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.548 HG13 HG23 ' B' ' 438' ' ' VAL . 4.5 m -123.98 165.65 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.6 OUTLIER -131.57 122.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.702 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -70.88 143.58 50.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.402 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 7.2 mt-30 -114.21 -4.76 13.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.65 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 15.6 m80 -140.07 169.83 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.417 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 13.9 t0 -112.14 105.92 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 1.021 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.1 t80 -116.27 121.83 43.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -84.42 113.74 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 1.021 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.46 116.12 29.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 12.8 p -119.6 93.89 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.489 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.1 t70 -142.31 -175.6 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -86.06 -4.92 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -163.83 38.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.489 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.14 168.71 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.614 HD23 ' CA ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -124.3 113.58 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.707 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -79.91 130.94 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 1.046 HD11 HG21 ' B' ' 436' ' ' VAL . 2.8 mm? -123.5 139.54 53.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -125.66 125.4 43.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -29.71 103.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.9 45.9 2.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.619 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 5.1 t0 -107.22 164.68 11.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.678 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.4 OUTLIER -119.96 117.21 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 1.046 HG21 HD11 ' B' ' 430' ' ' LEU . 47.8 t -126.49 147.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.942 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.19 127.63 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.557 HG21 ' CE1' ' B' ' 412' ' ' PHE . 74.0 t -78.55 115.1 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.743 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -121.55 152.2 57.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.598 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 19.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.8 113.25 11.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.7 -4.62 63.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.658 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.82 160.91 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.658 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -148.09 172.04 14.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.28 112.58 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.743 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.14 175.89 20.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.942 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.4 p -136.54 139.23 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.47 ' HE2' ' CD1' ' B' ' 428' ' ' LEU . 8.7 mtmt -76.39 160.49 29.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.656 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.9 tt0 -58.92 -40.7 85.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.453 ' HB2' HG22 ' B' ' 455' ' ' VAL . 55.7 m-20 -66.96 -33.74 76.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.703 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -52.68 -47.74 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -56.86 -26.11 57.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 55.5 mm-40 -92.46 17.44 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -45.39 -23.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.598 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -58.3 -32.88 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.92 45.68 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.456 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.3 OUTLIER -54.74 -30.43 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.15 -17.43 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.38 8.51 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -109.89 -26.41 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -49.95 143.38 7.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.614 ' CA ' HD23 ' B' ' 428' ' ' LEU . . . -164.72 -177.92 37.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 24.5 t -117.01 143.83 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.534 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.7 p90 -146.1 145.75 25.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 113.23 3.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.562 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.4 tt0 -69.81 -27.01 64.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.44 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.3 p30 -74.04 -3.29 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.892 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -116.45 5.36 13.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.892 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.5 p -129.54 174.09 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.45 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 479' ' ' GLU . . . . . 0.402 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 8.2 tt0 -124.24 148.03 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 134.5 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.412 HG23 ' HA ' ' B' ' 414' ' ' VAL . 26.2 t -107.48 117.53 55.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.55 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.13 33.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -57.93 130.58 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 p -91.01 157.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.418 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.01 135.61 19.28 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.05 137.72 21.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.01 -23.49 17.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.6 t80 -36.1 147.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -105.75 -70.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.543 ' CE1' ' HD3' ' B' ' 480' ' ' ARG . 18.4 p90 -157.4 -179.58 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.675 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.2 OUTLIER -99.28 145.82 26.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.784 HG22 ' O ' ' B' ' 436' ' ' VAL . 5.4 m -127.23 164.84 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.65 122.65 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.632 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -69.03 152.93 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -123.81 0.38 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 82.7 m-70 -145.35 169.54 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -110.26 104.33 13.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.865 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.65 104.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -75.47 113.39 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -113.41 119.23 36.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -118.12 93.8 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -143.64 -174.17 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 7.8 t -95.53 1.32 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -165.23 53.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' B' ' 427' ' ' GLU . 0.1 OUTLIER -118.65 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.492 HD13 ' HA3' ' B' ' 471' ' ' GLY . 6.4 tp -129.95 113.34 14.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.66 ' C ' HD22 ' B' ' 430' ' ' LEU . 5.7 tt0 -78.15 137.62 38.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 1.012 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -129.79 146.2 51.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -128.74 130.19 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.76 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 102.87 45.91 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.572 ' OD2' HD13 ' B' ' 430' ' ' LEU . 27.0 t70 -110.21 170.08 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.675 HG12 ' NZ ' ' B' ' 413' ' ' LYS . 0.6 OUTLIER -117.44 128.1 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 1.012 HG21 HD11 ' B' ' 430' ' ' LEU . 25.4 t -137.57 145.1 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.891 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -107.87 133.33 52.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.47 HG23 ' CG1' ' B' ' 414' ' ' VAL . 6.4 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.759 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.22 152.87 55.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.628 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 11.5 t70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 114.03 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.502 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.78 -4.34 63.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.979 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -135.89 158.88 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.979 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -144.91 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 453' ' ' MET . . . . . 0.45 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -87.21 113.83 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.759 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.0 177.97 19.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.891 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.0 p -138.03 145.21 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -81.49 161.65 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.572 ' CB ' HG23 ' B' ' 435' ' ' VAL . 6.2 tt0 -57.62 -43.13 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.49 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 18.5 m-20 -59.92 -32.79 71.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.418 ' NE1' ' HD3' ' B' ' 407' ' ' PRO . 3.9 t90 -52.34 -47.71 65.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -67.3 -23.84 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.461 ' C ' ' N ' ' B' ' 464' ' ' LYS . 56.4 mm-40 -82.79 17.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.91 -23.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' B' ' 462' ' ' GLN . 7.1 mtmt -56.89 -30.3 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -140.41 53.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.434 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.4 OUTLIER -60.37 -31.84 70.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.09 -17.65 41.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.92 8.07 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.7 OUTLIER -103.55 -24.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.44 137.61 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -155.2 178.65 31.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.16 142.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.461 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 16.3 p90 -147.15 147.5 29.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.582 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 117.21 4.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.56 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.1 tt0 -68.86 -30.45 68.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.441 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.18 -5.41 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.836 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.31 0.44 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.836 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.29 179.57 5.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -132.17 150.95 52.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 8.1 mtt180 -88.12 131.46 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.47 115.82 60.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.36 35.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.05 129.86 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.438 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 98.0 p -91.62 156.25 43.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 134.3 17.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -75.04 141.82 27.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.82 -23.02 18.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.3 t80 -35.91 148.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.2 mtt -106.22 -71.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.559 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 7.9 p90 -160.15 177.09 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.599 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -93.83 139.39 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.962 HG22 ' O ' ' B' ' 436' ' ' VAL . 14.9 m -119.51 167.53 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' B' ' 479' ' ' GLU . 0.0 OUTLIER -133.88 129.33 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' B' ' 430' ' ' LEU . . . -76.76 146.85 37.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -117.5 -0.96 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.56 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.7 m-70 -147.15 168.87 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.572 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -107.84 103.87 13.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -113.83 110.35 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -81.02 113.66 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -113.12 117.94 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.2 p -117.99 93.19 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.6 t70 -142.11 -174.94 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 13.6 t -88.18 -0.79 57.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -165.47 36.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.458 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -92.53 164.2 13.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.401 HD13 ' HA3' ' B' ' 471' ' ' GLY . 1.9 tp -121.86 113.79 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -83.87 136.73 34.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' B' ' 416' ' ' ALA . 0.3 OUTLIER -129.92 151.61 50.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.66 131.28 46.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.39 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.54 44.8 2.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.57 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 26.7 t70 -109.55 169.91 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.608 HG23 ' CB ' ' B' ' 457' ' ' GLU . 1.5 m -117.83 126.85 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.962 ' O ' HG22 ' B' ' 414' ' ' VAL . 37.4 t -135.66 143.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.718 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -102.77 133.25 48.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.489 HG23 ' CG1' ' B' ' 414' ' ' VAL . 7.5 t -87.32 109.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.97 153.3 47.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.17 4.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.634 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 4.3 t0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 449' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.5 OUTLIER -69.76 111.69 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.535 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.19 0.26 61.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.634 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.3 m95 -138.64 147.43 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -134.74 172.02 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.37 113.6 23.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.07 172.95 22.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.9 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.9 p -136.88 145.68 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.548 ' HG2' HG22 ' B' ' 436' ' ' VAL . 0.2 OUTLIER -77.98 160.63 28.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.608 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.9 tt0 -57.89 -43.6 86.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -37.91 76.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.9 ' HB2' HG22 ' B' ' 455' ' ' VAL . 25.8 m-20 -66.0 -32.3 73.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.718 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.5 t90 -51.44 -47.06 63.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -57.78 -26.81 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.1 OUTLIER -92.79 16.76 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -23.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 12.8 tttt -57.85 -30.37 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -131.47 48.81 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 3.7 pp -55.03 -31.51 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.08 -18.86 63.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -115.0 7.29 15.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.0 OUTLIER -112.48 -10.84 13.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -60.25 150.62 29.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.401 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -165.14 179.97 39.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.029 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 23.2 t -125.37 142.72 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.481 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 10.9 p90 -149.3 150.26 31.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 115.43 4.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.717 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.3 tt0 -69.08 -29.85 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.454 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.4 p30 -71.93 -5.4 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.85 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.32 2.27 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.85 HG23 ' CD1' ' B' ' 477' ' ' PHE . 2.0 p -128.22 -179.68 5.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 479' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 415' ' ' GLN . 5.0 tt0 -131.45 150.01 52.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.448 ' HD2' ' CZ ' ' B' ' 412' ' ' PHE . 11.2 mtm-85 -89.84 133.8 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 40.3 t -111.27 115.92 51.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.47 33.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.48 130.44 46.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.443 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 88.1 p -90.91 157.1 43.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -75.06 133.57 16.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.0 Cg_endo -75.03 144.27 29.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.04 -23.95 12.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' B' ' 409' ' ' GLY . 19.5 t80 -35.83 147.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.7 mtt -110.06 -69.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.406 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 18.3 p90 -157.17 -179.5 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.632 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -100.27 147.45 25.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.786 HG22 ' O ' ' B' ' 436' ' ' VAL . 11.2 m -125.29 167.43 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -133.12 123.18 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.686 ' HB3' ' H ' ' B' ' 434' ' ' ASP . . . -71.99 145.14 48.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.39 3.15 13.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.4 m-70 -148.13 169.53 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.32 100.43 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 1.0 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -113.07 117.97 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.78 114.67 21.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 1.0 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -110.76 116.33 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 20.2 p -119.8 94.03 4.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 8.9 t -85.54 -5.44 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -163.69 38.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.495 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.58 170.83 9.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.883 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -130.38 113.49 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.456 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.7 tt0 -79.44 141.18 37.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 1.01 HD11 HG21 ' B' ' 436' ' ' VAL . 3.5 mm? -127.44 154.65 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -131.69 127.85 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' B' ' 418' ' ' HIS . . . -39.27 96.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.88 33.06 4.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.686 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.1 t70 -96.2 169.99 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.632 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.6 OUTLIER -115.41 127.13 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 1.01 HG21 HD11 ' B' ' 430' ' ' LEU . 3.3 t -135.34 143.92 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -103.44 130.74 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.474 HG23 ' CG1' ' B' ' 414' ' ' VAL . 3.2 t -85.49 109.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.722 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.05 153.29 48.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 440' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.9 t70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.99 113.91 8.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.57 -3.89 63.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.805 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -136.0 159.42 41.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.826 HD21 ' CB ' ' B' ' 475' ' ' GLU . 0.1 OUTLIER -145.17 172.01 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.39 113.5 23.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.722 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.6 176.51 21.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' B' ' 437' ' ' LEU . 12.7 p -138.28 144.84 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.419 ' HG2' ' CG2' ' B' ' 436' ' ' VAL . 0.5 OUTLIER -78.71 160.49 27.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.588 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.7 tt0 -58.68 -43.27 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -36.64 80.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.699 ' HB2' HG22 ' B' ' 455' ' ' VAL . 61.1 m-20 -65.58 -33.37 75.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.663 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.46 -47.67 66.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -56.49 -26.26 53.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.6 OUTLIER -94.48 17.59 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.55 -24.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.571 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.3 mtpt -58.26 -30.74 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 465' ' ' LYS . . . . . 0.421 ' HB3' ' CD ' ' B' ' 468' ' ' LYS . 0.7 OUTLIER -135.61 48.23 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.623 HD12 ' HG2' ' B' ' 470' ' ' ARG . 0.1 OUTLIER -69.47 -29.45 67.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 467' ' ' GLU . . . . . 0.402 ' HA ' ' NH1' ' B' ' 470' ' ' ARG . 5.3 mt-10 -53.55 -35.64 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 468' ' ' LYS . . . . . 0.421 ' CD ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -106.05 9.11 32.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.406 ' CB ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -106.11 -18.66 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 470' ' ' ARG . . . . . 0.623 ' HG2' HD12 ' B' ' 466' ' ' LEU . 3.4 mtm-85 -51.06 153.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.883 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -162.91 -177.37 35.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 14.1 t -125.37 143.24 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.444 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 13.8 p90 -145.55 149.66 41.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.6 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.826 ' CB ' HD21 ' B' ' 452' ' ' LEU . 2.2 tt0 -69.74 -29.65 67.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.445 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -72.61 -4.48 31.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.927 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.53 1.79 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.927 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -128.93 -179.89 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -131.48 143.96 50.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.33 135.92 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' B' ' 414' ' ' VAL . 17.4 t -104.66 139.82 20.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 482' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.82 38.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.31 128.47 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -93.03 159.1 36.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.95 135.16 18.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.1 Cg_endo -75.03 145.42 31.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.05 -18.63 30.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.82 150.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 411' ' ' MET . . . . . 0.446 ' SD ' HG12 ' B' ' 438' ' ' VAL . 11.3 mtt -108.28 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.555 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.1 p90 -159.04 -179.77 8.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.791 ' HE2' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -99.92 133.31 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.715 ' CG1' HG23 ' B' ' 438' ' ' VAL . 1.4 m -114.38 166.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.592 ' HB2' HG21 ' B' ' 481' ' ' VAL . 0.6 OUTLIER -132.33 124.94 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.849 ' HB2' HD23 ' B' ' 430' ' ' LEU . . . -70.57 147.78 48.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -119.02 -6.01 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.7 m-70 -141.64 169.08 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 9.7 p-10 -107.69 106.34 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.912 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.8 t80 -114.8 111.83 21.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -84.12 113.88 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.912 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -111.24 116.7 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 43.6 p -117.63 91.69 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.19 -173.51 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.5 t -94.46 14.1 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 t70 179.29 60.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -125.06 170.94 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.726 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.69 113.5 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.498 ' O ' ' CD ' ' B' ' 456' ' ' LYS . 5.2 tt0 -80.44 132.87 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.911 HD21 HG21 ' B' ' 436' ' ' VAL . 0.3 OUTLIER -125.29 144.27 50.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.4 131.08 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.25 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.21 48.94 1.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.616 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.8 t0 -110.95 172.64 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.791 HG12 ' HE2' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -120.54 123.39 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.911 HG21 HD21 ' B' ' 430' ' ' LEU . 22.0 t -133.6 149.12 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.806 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -111.82 125.16 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.715 HG23 ' CG1' ' B' ' 414' ' ' VAL . 11.8 t -77.21 110.59 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.69 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 152.82 53.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 12.1 t70 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 108.19 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.526 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.82 0.31 59.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.599 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.7 OUTLIER -138.62 143.46 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -128.8 171.77 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.72 113.04 22.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.69 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -137.31 165.92 25.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.806 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.4 p -127.67 144.85 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.325 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.862 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.5 OUTLIER -80.86 162.89 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.639 ' HB3' HG23 ' B' ' 435' ' ' VAL . 5.5 tt0 -57.86 -39.1 76.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -46.74 77.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.556 ' HB2' HG22 ' B' ' 455' ' ' VAL . 7.2 m-20 -59.98 -32.7 71.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.68 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.8 t90 -51.8 -47.81 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -55.44 -26.79 44.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.44 16.62 13.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -45.83 -23.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.556 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 6.2 pttt -58.26 -31.19 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 43.15 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.33 -31.14 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.79 -22.58 47.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.63 7.38 14.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.84 -13.27 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 470' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 7.2 mtt180 -57.29 151.06 16.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.726 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -160.56 -178.19 34.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 5.2 t -125.79 143.2 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 9.5 p90 -149.8 150.06 29.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.597 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.93 119.82 5.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -68.96 -34.59 75.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.408 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.7 p30 -69.66 -6.26 30.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.713 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.2 OUTLIER -108.54 2.32 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.713 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -128.35 -179.8 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.458 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -131.83 150.66 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.435 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 7.3 mtm-85 -88.18 126.53 35.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 481' ' ' VAL . . . . . 0.592 HG21 ' HB2' ' B' ' 415' ' ' GLN . 22.0 t -105.06 138.52 19.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.541 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.73 34.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 130.19 45.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.5 p -91.47 157.3 42.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.011 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.98 134.53 17.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 141.16 26.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.55 -22.3 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 9.1 t80 -36.24 147.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 411' ' ' MET . . . . . 0.492 ' SD ' HG12 ' B' ' 438' ' ' VAL . 11.5 mtt -103.76 -73.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.561 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.4 p90 -158.22 179.4 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.721 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -96.47 140.3 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.963 HG22 ' O ' ' B' ' 436' ' ' VAL . 16.3 m -120.92 166.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.1 OUTLIER -134.71 127.38 30.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.631 ' HB3' ' H ' ' B' ' 434' ' ' ASP . . . -75.48 141.36 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -112.89 -6.4 13.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.63 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 20.4 m80 -138.5 168.34 19.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.584 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 5.2 p-10 -109.34 105.87 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.92 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.6 t80 -116.36 124.08 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -92.46 116.71 29.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 0.92 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.26 116.48 30.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 34.4 p -118.24 91.2 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.403 ' H ' ' CG ' ' B' ' 427' ' ' GLU . 4.9 t0 -144.45 -173.96 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 425' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' B' ' 426' ' ' ASP . 9.5 t -94.81 13.94 23.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 426' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 425' ' ' THR . 13.3 m-20 -179.55 59.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -124.48 171.57 9.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.841 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -128.07 113.27 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.493 ' C ' HD22 ' B' ' 430' ' ' LEU . 4.9 tt0 -76.09 134.76 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.994 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -123.55 141.38 52.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.67 126.73 46.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.08 102.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.35 48.54 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.631 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.7 t0 -110.46 171.62 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.721 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -119.8 119.29 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.994 HG21 HD11 ' B' ' 430' ' ' LEU . 14.8 t -129.65 144.02 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.462 ' HG ' ' CG1' ' B' ' 455' ' ' VAL . 0.0 OUTLIER -106.12 133.39 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.559 HG23 ' CG1' ' B' ' 414' ' ' VAL . 48.9 t -86.28 110.25 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.726 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.78 153.69 48.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.621 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.2 t70 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.97 113.17 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.4 -3.34 63.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.621 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.5 157.09 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.609 HD11 ' OE1' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -142.59 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.34 113.82 23.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.726 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -141.22 169.17 25.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.956 HG22 ' HB2' ' B' ' 459' ' ' ASP . 2.3 p -129.97 146.47 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -78.87 163.16 25.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.596 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.6 tt0 -58.06 -43.24 86.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -39.39 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.956 ' HB2' HG22 ' B' ' 455' ' ' VAL . 29.4 m-20 -65.2 -32.43 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.428 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.56 -47.3 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -62.96 -24.73 68.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 36.8 mm-40 -86.84 17.73 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 463' ' ' HIS . . . . . 0.434 ' O ' HD23 ' B' ' 466' ' ' LEU . 0.0 OUTLIER -45.21 -24.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.598 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.99 -30.68 66.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -139.72 52.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.434 HD23 ' O ' ' B' ' 463' ' ' HIS . 2.7 pp -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.95 -18.81 59.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -114.46 6.36 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.66 -15.22 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -56.81 152.78 11.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.841 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -167.01 -179.62 40.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 37.3 t -121.55 143.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.737 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.461 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.1 p90 -146.76 148.69 34.03 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.8 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.609 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.1 tt0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.445 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.15 -4.94 32.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.893 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.66 2.22 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.893 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -127.33 175.97 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -128.86 151.3 49.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.446 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.1 mtm180 -89.78 131.01 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.02 115.81 62.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.73 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.78 130.45 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.435 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 79.4 p -90.83 157.11 44.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.99 134.21 17.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.556 1.819 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 143.8 29.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.41 -21.17 22.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' B' ' 409' ' ' GLY . 8.1 t80 -35.83 146.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -105.57 -72.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.42 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 19.6 p90 -153.4 -179.99 8.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.779 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -103.47 135.83 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.8 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.7 m -119.44 168.25 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 415' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -133.7 131.19 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.991 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -75.53 144.7 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.12 -0.89 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 79.7 m80 -144.79 170.07 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 7.9 p-10 -112.08 103.13 11.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 1.036 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.1 t80 -116.34 116.92 28.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -82.25 113.03 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -113.19 116.85 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.9 p -119.47 94.23 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.506 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.6 t0 -142.16 -174.97 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.5 t -89.22 -0.94 57.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.17 32.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.506 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -91.84 170.56 9.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 428' ' ' LEU . . . . . 0.715 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -132.37 113.27 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.606 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -76.25 135.82 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 0.991 HD12 ' HB2' ' B' ' 416' ' ' ALA . 2.7 mm? -125.74 146.62 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.21 126.13 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.17 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.02 50.55 1.24 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.549 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.7 t0 -112.91 172.61 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.779 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -120.6 120.88 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 0.915 HG22 ' HG3' ' B' ' 456' ' ' LYS . 39.5 t -131.53 137.52 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.895 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -103.25 123.65 47.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' B' ' 414' ' ' VAL . 15.9 t -74.26 110.44 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.791 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.74 153.16 46.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 440' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.81 4.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.809 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.559 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.5 t0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.64 111.72 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.52 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.47 -2.17 60.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.807 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -137.18 154.72 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.807 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -142.34 172.17 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.99 113.61 22.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.791 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.87 172.02 22.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.895 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.7 p -135.41 139.09 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 456' ' ' LYS . . . . . 0.915 ' HG3' HG22 ' B' ' 436' ' ' VAL . 1.1 mtpm? -75.46 162.1 28.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.617 ' HB3' HG23 ' B' ' 435' ' ' VAL . 4.4 tt0 -59.83 -40.33 88.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -37.64 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.552 ' HB2' HG22 ' B' ' 455' ' ' VAL . 45.6 m-20 -68.63 -33.1 73.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.733 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.3 t90 -51.87 -49.57 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -54.61 -26.35 32.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.467 ' C ' ' N ' ' B' ' 464' ' ' LYS . 1.6 mp0 -104.55 19.72 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 463' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' B' ' 463' ' ' HIS . 0.2 OUTLIER -45.43 -22.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.467 ' N ' ' C ' ' B' ' 462' ' ' GLN . 3.5 tttt -57.44 -30.78 65.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -126.26 45.13 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.53 -36.98 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.46 -17.13 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -115.11 3.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.507 ' HG ' ' CG ' ' B' ' 459' ' ' ASP . 0.5 OUTLIER -114.97 -19.21 11.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 470' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.9 mtm180 -52.46 152.3 3.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.715 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -166.17 179.75 40.08 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 71.9 t -121.33 142.59 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.464 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 11.7 p90 -147.01 149.39 35.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.588 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.503 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.2 tt0 -68.83 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 476' ' ' ASN . . . . . 0.417 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -71.27 -5.64 33.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.787 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.3 1.91 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.787 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.63 179.47 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 479' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 415' ' ' GLN . 2.3 tt0 -129.59 145.57 51.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.09 131.23 34.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.14 118.48 52.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 162.04 37.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 128.05 35.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.9 p -93.88 156.8 38.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 407' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 133.79 17.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 408' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -75.01 144.54 30.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.28 -22.09 17.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 410' ' ' PHE . . . . . 0.489 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 17.3 t80 -35.91 150.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.773 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.2 mtt -110.64 -71.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.489 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.1 p90 -157.2 179.7 9.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 413' ' ' LYS . . . . . 0.68 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -102.54 137.85 40.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 414' ' ' VAL . . . . . 0.747 ' CG1' HG23 ' B' ' 438' ' ' VAL . 0.9 OUTLIER -116.87 167.2 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.87 118.9 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 416' ' ' ALA . . . . . 0.721 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.5 149.79 49.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -119.73 -0.21 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.502 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.6 m-70 -145.85 170.22 16.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.16 . . . . 0.0 109.61 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 419' ' ' ASP . . . . . 0.447 ' OD2' ' HB2' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -111.25 103.27 11.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 1.034 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.4 t80 -116.19 109.62 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.9 113.91 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 422' ' ' ALA . . . . . 1.034 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.58 117.35 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 40.7 p -119.7 94.87 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 424' ' ' ASP . . . . . 0.496 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t70 -140.86 -175.42 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.3 t -82.8 -9.67 59.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -161.86 44.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.496 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.6 OUTLIER -95.57 170.26 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 3.9 tp -126.87 113.1 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 429' ' ' GLN . . . . . 0.68 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.8 tt0 -77.66 136.99 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 430' ' ' LEU . . . . . 1.094 HD11 HG21 ' B' ' 436' ' ' VAL . 4.4 mm? -129.18 141.92 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.8 132.09 53.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 432' ' ' ALA . . . . . 0.447 ' HB2' ' OD2' ' B' ' 419' ' ' ASP . . . -38.27 97.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.95 45.97 1.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 434' ' ' ASP . . . . . 0.673 ' OD2' HD13 ' B' ' 430' ' ' LEU . 18.9 t70 -108.78 169.52 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 435' ' ' VAL . . . . . 0.68 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -118.53 121.33 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 436' ' ' VAL . . . . . 1.094 HG21 HD11 ' B' ' 430' ' ' LEU . 3.2 t -130.45 139.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 437' ' ' LEU . . . . . 0.902 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -101.19 133.68 45.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 438' ' ' VAL . . . . . 0.747 HG23 ' CG1' ' B' ' 414' ' ' VAL . 49.7 t -86.9 110.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.99 153.94 48.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 441' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 448' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' B' ' 451' ' ' TRP . 30.5 t70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 449' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 5.1 pt-20 -68.88 117.84 11.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 450' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 94.64 -4.15 68.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 451' ' ' TRP . . . . . 0.673 ' O ' HD23 ' B' ' 452' ' ' LEU . 1.3 m95 -136.59 161.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.673 HD23 ' O ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -149.43 169.87 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 453' ' ' MET . . . . . 0.536 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.22 113.0 21.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -137.25 178.08 19.29 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 455' ' ' VAL . . . . . 0.902 HG13 ' HG ' ' B' ' 437' ' ' LEU . 3.9 p -138.44 145.48 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -79.74 159.74 26.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 457' ' ' GLU . . . . . 0.616 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.0 tt0 -57.91 -44.39 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -36.74 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 459' ' ' ASP . . . . . 0.485 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 71.8 m-20 -68.1 -33.22 74.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 460' ' ' TRP . . . . . 0.45 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.1 t90 -52.52 -47.33 66.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -59.82 -26.61 65.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 462' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.4 OUTLIER -93.24 17.22 11.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -45.34 -24.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 464' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' B' ' 462' ' ' GLN . 4.2 pttt -57.96 -30.6 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.96 39.37 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.445 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -57.4 -30.54 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.27 -18.92 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 9.04 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 469' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -108.13 -21.66 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.336 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 470' ' ' ARG . . . . . 0.404 HH12 HD21 ' B' ' 466' ' ' LEU . 0.2 OUTLIER -50.53 127.15 17.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 471' ' ' GLY . . . . . 0.536 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -150.55 -177.57 24.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.478 1.112 . . . . 0.0 111.009 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 39.9 t -118.48 149.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 473' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' B' ' 438' ' ' VAL . 27.4 p90 -150.84 145.54 18.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 474' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 112.54 3.58 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 475' ' ' GLU . . . . . 0.553 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.3 tt0 -68.32 -28.51 67.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.85 -6.57 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -113.5 2.2 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.7 OUTLIER -128.04 177.16 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.07 146.69 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 480' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 0.3 OUTLIER -84.27 137.4 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.73 118.48 48.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.882 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 1.5 mp -79.74 121.05 81.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.15 10.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -67.38 133.48 93.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.381 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.0 171.78 17.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.6 38.58 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 129.18 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.9 p -92.79 158.07 38.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' NE ' ' A' ' 65' ' ' ARG . 18.4 Cg_endo -74.96 172.18 16.85 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.7 p -72.36 91.46 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' B' ' 446' ' ' GLU . 0.5 OUTLIER -79.96 84.45 5.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -79.96 106.23 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 m -72.76 86.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -71.41 -172.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 404' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' B' ' 405' ' ' ASP . 0.7 OUTLIER -123.58 -41.76 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.422 ' N ' ' HG ' ' B' ' 404' ' ' LEU . 4.7 m-20 -108.72 154.2 22.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.27 159.66 53.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.1 Cg_endo -75.05 133.42 16.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.06 143.26 28.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.83 -22.59 20.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.97 146.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.8 mtt -106.94 -71.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 23.8 p90 -156.59 -179.41 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.511 ' HZ3' HG11 ' B' ' 481' ' ' VAL . 0.2 OUTLIER -102.53 146.61 27.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.589 ' HA ' HG23 ' B' ' 481' ' ' VAL . 2.2 m -129.42 167.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -134.39 130.89 37.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.625 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -75.22 155.5 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.59 1.15 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.0 m-70 -144.93 170.02 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 11.5 p-10 -111.75 101.37 9.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.869 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.69 107.35 14.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.6 m -75.72 113.79 13.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.869 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.49 117.52 32.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -118.27 94.92 4.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 3.5 t0 -142.29 -174.81 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.0 t -86.66 -5.07 59.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.74 37.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.493 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.7 mm-40 -92.71 168.86 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.59 HD23 ' CA ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -125.97 113.92 17.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.773 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.9 tt0 -79.45 133.52 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.964 HD11 HG21 ' B' ' 436' ' ' VAL . 3.4 mm? -125.31 143.43 50.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -128.21 124.35 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.506 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -31.69 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 97.02 52.05 1.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.518 ' OD2' ' CD ' ' B' ' 456' ' ' LYS . 5.9 t70 -113.3 169.89 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.634 HG23 ' CB ' ' B' ' 457' ' ' GLU . 6.7 m -120.28 126.43 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.964 HG21 HD11 ' B' ' 430' ' ' LEU . 78.9 t -136.54 150.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.635 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.74 128.63 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.488 HG23 ' CG1' ' B' ' 414' ' ' VAL . 18.7 t -79.01 120.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.705 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -125.05 154.4 71.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 440' ' ' PRO . . . . . 0.403 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 115.78 4.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.59 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -58.0 -179.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -81.79 -5.0 57.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.73 150.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.6 20.26 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.76 -23.18 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 2.4 mm-40 -85.44 -29.54 24.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.59 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 7.9 tt0 -55.13 131.11 44.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.3 t70 -89.03 155.56 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 449' ' ' GLU . . . . . 0.541 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 6.9 pt-20 -74.74 111.14 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -5.72 64.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.615 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.6 OUTLIER -134.53 145.93 49.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -129.45 171.98 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.436 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -87.36 112.82 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.705 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.67 165.71 24.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.5 p -127.38 143.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.4 mtmp? -79.14 161.24 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.634 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.2 tt0 -57.8 -41.37 82.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.18 98.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.876 ' HB2' HG22 ' B' ' 455' ' ' VAL . 71.1 m-20 -62.06 -33.2 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.635 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.8 t90 -52.45 -47.7 66.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -58.06 -26.28 62.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.417 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.5 OUTLIER -93.16 17.86 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -24.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' B' ' 462' ' ' GLN . 9.9 mmtt -58.33 -30.89 67.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -134.16 41.98 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.64 -31.48 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -60.21 -19.38 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.18 7.48 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 -10.23 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -62.45 155.06 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.59 ' CA ' HD23 ' B' ' 428' ' ' LEU . . . -167.13 -179.52 40.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.487 HG21 ' CB ' ' A' ' 65' ' ' ARG . 18.5 t -121.93 144.52 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.765 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.4 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 10.6 p90 -148.04 150.06 34.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.606 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.04 117.27 4.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.8 tt0 -69.41 -28.72 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.2 -5.73 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -110.53 0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.3 p -127.34 176.94 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -129.5 143.33 50.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 4.2 mtt180 -79.58 141.74 36.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' B' ' 414' ' ' VAL . 21.7 t -119.71 119.57 31.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.943 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' HB2' ' NE2' ' B' ' 418' ' ' HIS . 9.2 mp -79.67 121.58 82.64 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.74 10.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 t -65.76 132.21 94.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.457 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.96 171.13 18.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.98 37.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.0 128.89 39.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.2 p -92.13 157.59 40.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.31 16.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.542 1.811 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.7 p -72.89 82.46 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.028 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.564 ' CZ ' HG22 ' B' ' 472' ' ' VAL . 43.0 mtp180 -79.0 86.82 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.311 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.17 112.89 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.482 ' CA ' ' OE1' ' B' ' 442' ' ' GLN . 1.2 t -67.79 -58.15 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.563 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -68.7 176.38 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.268 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.33 -36.56 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.54 155.1 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 160.05 47.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.96 134.18 17.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.428 1.752 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.5 Cg_endo -74.98 143.04 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.74 -23.25 17.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.9 t80 -36.14 146.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.9 mtt -106.79 -71.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 23.8 p90 -156.79 179.95 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.611 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.4 OUTLIER -98.39 146.56 25.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.694 ' CG1' HG23 ' B' ' 438' ' ' VAL . 10.5 m -124.69 166.36 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 1.6 tp-100 -134.41 119.62 18.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.636 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.53 149.45 50.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -121.56 -0.06 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.584 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 80.1 m-70 -147.65 168.94 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -109.1 105.27 14.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.828 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.8 t80 -115.87 109.5 17.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -77.36 112.98 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.828 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.93 117.91 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.7 p -118.35 93.96 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 7.4 t0 -141.9 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -89.09 2.49 54.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -168.56 35.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.34 170.81 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.503 HD23 HD21 ' B' ' 430' ' ' LEU . 5.7 tp -129.12 114.17 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.429 ' C ' HD22 ' B' ' 430' ' ' LEU . 4.1 tt0 -80.96 131.03 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.84 HD11 HG21 ' B' ' 436' ' ' VAL . 4.2 mm? -121.89 140.24 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.9 128.8 51.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.34 102.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.57 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 8.5 t0 -109.87 167.56 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.622 HG23 ' CB ' ' B' ' 457' ' ' GLU . 4.8 m -119.08 119.9 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.84 HG21 HD11 ' B' ' 430' ' ' LEU . 20.7 t -129.32 149.96 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.658 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -110.04 124.94 52.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.694 HG23 ' CG1' ' B' ' 414' ' ' VAL . 43.8 t -77.18 113.98 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.726 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 153.88 54.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -57.24 -178.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.482 ' OE1' ' CA ' ' A' ' 67' ' ' SER . 1.8 pm0 -81.76 -3.9 54.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 171.36 150.0 0.18 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -20.92 16.35 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -22.96 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.45 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 21.2 mm-40 -88.58 -18.67 27.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.564 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.0 tt0 -64.94 148.4 51.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.2 t0 -106.27 153.51 22.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 449' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.3 OUTLIER -74.22 111.07 9.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.1 -4.13 62.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.685 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.85 149.66 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.685 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -135.88 172.36 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.45 112.49 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.039 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.726 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.12 175.4 20.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.586 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.1 p -138.02 143.58 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.485 ' CG ' HG22 ' B' ' 436' ' ' VAL . 2.9 mtmp? -79.05 160.05 27.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.622 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.7 tt0 -58.36 -42.78 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -41.75 94.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.469 ' HB3' ' CG2' ' B' ' 455' ' ' VAL . 11.3 m-20 -64.37 -31.91 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.658 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.8 t90 -51.23 -47.54 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 461' ' ' ASN . . . . . 0.401 ' HB2' ' NE2' ' B' ' 462' ' ' GLN . 41.2 m-80 -54.21 -25.95 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.447 ' C ' ' N ' ' B' ' 464' ' ' LYS . 35.7 mm-40 -93.22 17.36 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 463' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' B' ' 460' ' ' TRP . 8.8 t60 -45.45 -22.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.9 OUTLIER -57.72 -30.17 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.07 45.83 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.2 OUTLIER -54.32 -32.65 57.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 467' ' ' GLU . . . . . 0.412 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 5.4 mt-10 -62.06 -17.38 57.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 6.26 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.401 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -114.84 -9.02 12.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 470' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 4.1 mtm180 -59.42 149.54 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.1 171.97 36.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.564 HG22 ' CZ ' ' A' ' 65' ' ' ARG . 37.9 t -119.77 142.88 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -149.58 151.95 34.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.595 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.8 tt0 -68.93 -29.23 67.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.77 -5.91 37.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.942 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.3 3.41 18.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.942 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.4 p -130.26 -179.33 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 149.8 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -88.44 140.67 29.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 49.0 t -116.83 127.52 26.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.458 1.768 . . . . 0.0 111.022 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 56' ' ' LEU . 6.4 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.57 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -98.41 120.5 59.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.69 10.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 1.5 t -66.59 133.69 94.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 58' ' ' THR . 18.4 Cg_endo -75.0 169.36 22.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.05 36.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 130.0 44.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 93.2 p -91.12 156.96 43.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -71.62 89.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.548 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 15.1 mtp180 -78.3 86.28 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 109.02 15.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 t -96.37 90.62 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.972 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.619 ' N ' ' HE ' ' B' ' 403' ' ' ARG . 0.0 OUTLIER -66.1 -175.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.28 -40.92 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -112.93 153.97 27.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.95 160.03 61.61 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.0 133.45 16.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.04 142.88 28.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.63 -22.95 18.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.484 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.47 149.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 0.797 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.8 mtt -110.74 -71.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.484 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 21.1 p90 -158.56 -179.87 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.617 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -99.93 145.42 27.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 436' ' ' VAL . 9.6 m -123.92 166.63 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -133.49 119.69 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.58 150.94 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.517 ' OE1' HD21 ' A' ' 56' ' ' LEU . 4.1 mt-30 -121.87 -0.51 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.581 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.9 m-70 -145.97 169.43 18.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 8.0 p-10 -110.29 102.77 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.845 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.4 t80 -113.61 106.46 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 6.4 m -76.1 113.57 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.387 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.845 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -112.76 118.33 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 58.6 p -117.91 94.79 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.46 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.41 -175.22 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 15.3 t -86.35 0.88 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -171.55 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.1 mm-40 -91.94 169.5 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.492 HD13 ' HA3' ' B' ' 471' ' ' GLY . 6.4 tp -124.11 113.55 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.602 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.3 tt0 -82.39 132.53 35.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.887 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -125.02 138.72 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.0 128.5 52.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.01 101.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.39 47.89 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.491 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 29.4 t0 -111.86 169.18 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' B' ' 457' ' ' GLU . 1.3 m -118.92 126.06 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.887 HG21 HD11 ' B' ' 430' ' ' LEU . 25.1 t -134.95 146.54 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.649 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -107.08 127.28 53.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.591 HG23 ' CG1' ' B' ' 414' ' ' VAL . 42.7 t -79.72 110.54 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.714 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.31 154.14 48.78 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 116.19 4.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.17 -172.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.55 -16.84 31.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.44 148.28 1.25 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -21.23 16.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -66.65 -29.73 69.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.548 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 4.7 mm-40 -83.39 -24.42 31.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.449 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 3.8 tt0 -56.91 139.8 50.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.619 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 9.4 t0 -98.69 148.09 24.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 449' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 5.4 pt-20 -71.53 113.7 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.0 -4.28 62.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.668 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -135.46 152.39 51.32 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.668 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -137.86 170.9 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.415 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.3 OUTLIER -88.14 113.01 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.714 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.46 168.44 23.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.858 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.9 p -130.99 144.94 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CE ' ' O ' ' B' ' 429' ' ' GLN . 0.1 OUTLIER -78.04 159.53 28.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.63 ' HB3' HG23 ' B' ' 435' ' ' VAL . 3.5 tt0 -58.04 -37.74 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.96 96.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.858 ' HB2' HG22 ' B' ' 455' ' ' VAL . 20.9 m-20 -61.09 -33.34 73.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.649 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.14 -47.23 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.051 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -56.07 -26.2 48.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.6 OUTLIER -98.81 17.01 20.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -45.78 -23.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.7 tttp -57.97 -30.88 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -131.62 46.19 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.73 -30.44 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.11 -17.8 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -115.65 7.48 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 16.4 m -109.76 -23.64 11.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.256 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -50.83 130.83 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -145.81 -177.85 20.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.465 HG21 ' HD3' ' A' ' 65' ' ' ARG . 9.4 t -128.05 143.01 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -151.34 152.24 30.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.594 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 117.77 5.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.546 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.2 tt0 -69.75 -30.8 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -71.16 -6.36 38.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.929 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -109.4 1.74 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.929 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.33 179.44 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 479' ' ' GLU . . . . . 0.443 ' OE1' ' NE2' ' B' ' 417' ' ' GLN . 2.7 tt0 -131.69 146.58 52.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 134.36 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' B' ' 482' ' ' PRO . 57.6 t -106.05 137.47 19.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 482' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 481' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -88.91 115.88 64.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.04 21.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -66.96 131.38 93.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 171.06 19.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.33 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 129.29 41.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -92.09 158.12 39.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 172.02 17.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.42 83.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.547 ' CZ ' HG22 ' B' ' 472' ' ' VAL . 33.7 mtp180 -79.3 102.95 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.3 109.93 20.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.95 113.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.523 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -66.03 -171.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.75 -42.96 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.08 154.9 22.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.5 159.63 55.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.01 133.72 16.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 144.68 30.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.12 -22.17 16.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.39 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 411' ' ' MET . . . . . 0.444 ' CE ' HG12 ' B' ' 438' ' ' VAL . 10.2 mtt -107.97 -71.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' B' ' 438' ' ' VAL . 18.6 p90 -159.48 179.76 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.504 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -100.2 143.81 29.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.669 HG13 HG23 ' B' ' 438' ' ' VAL . 4.3 m -122.72 167.1 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -133.35 118.66 18.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.61 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.36 148.45 51.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -119.31 -1.54 10.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.599 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 72.6 m-70 -143.92 169.34 17.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 0.0 OUTLIER -110.5 101.99 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.959 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.5 t80 -115.57 113.6 23.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 7.7 m -80.3 113.57 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.959 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.51 116.46 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 26.6 p -120.16 93.53 4.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.504 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.5 t0 -142.33 -175.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 425' ' ' THR . . . . . 0.407 ' O ' ' OD1' ' B' ' 426' ' ' ASP . 9.9 t -78.94 -14.94 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 426' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 425' ' ' THR . 1.0 OUTLIER -153.69 39.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.653 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -91.68 163.27 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.433 HD13 ' HA3' ' B' ' 471' ' ' GLY . 5.9 tp -125.98 113.01 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.692 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.3 tt0 -76.24 137.09 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 1.013 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -129.95 141.88 50.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -123.83 132.23 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -39.02 97.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.22 45.84 1.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.676 ' OD2' HD13 ' B' ' 430' ' ' LEU . 20.2 t70 -108.16 169.45 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' B' ' 457' ' ' GLU . 2.7 m -118.56 128.02 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 1.013 HG21 HD11 ' B' ' 430' ' ' LEU . 54.5 t -137.0 149.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.791 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -112.18 127.5 55.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.686 HG21 ' CE1' ' B' ' 412' ' ' PHE . 28.2 t -78.85 115.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.725 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -122.13 153.67 61.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 440' ' ' PRO . . . . . 0.407 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.12 4.49 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -57.65 -173.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.444 ' OE1' ' NH2' ' B' ' 470' ' ' ARG . 0.0 OUTLIER -83.74 -29.72 27.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 443' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' B' ' 442' ' ' GLN . 4.5 m120 -159.3 145.86 12.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -19.13 18.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -24.66 62.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.476 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 2.8 mm-40 -86.72 -16.29 36.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 65' ' ' ARG . 7.0 tt0 -62.11 146.97 48.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.614 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.0 t0 -107.32 148.19 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.41 113.33 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -3.25 62.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.614 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.0 OUTLIER -136.14 151.61 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.597 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -139.29 170.65 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.22 113.19 22.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.725 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.15 174.98 20.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.791 HG13 ' HG ' ' B' ' 437' ' ' LEU . 11.6 p -136.53 143.55 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.421 ' CG ' HG22 ' B' ' 436' ' ' VAL . 0.5 OUTLIER -80.24 160.61 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' B' ' 435' ' ' VAL . 5.1 tt0 -57.9 -41.64 83.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -35.53 80.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.746 ' HB2' HG22 ' B' ' 455' ' ' VAL . 87.1 m-20 -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.723 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -51.94 -47.83 64.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.19 -26.07 36.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.4 OUTLIER -93.95 16.72 13.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -45.75 -23.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' B' ' 462' ' ' GLN . 13.6 pttt -58.15 -29.8 65.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -133.16 43.46 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -55.1 -31.7 61.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.15 -21.26 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.15 7.45 15.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 -23.12 11.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 470' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' B' ' 442' ' ' GLN . 2.3 mtt180 -50.62 151.0 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.433 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -160.45 -179.72 35.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.547 HG22 ' CZ ' ' A' ' 65' ' ' ARG . 51.7 t -123.6 142.99 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -151.09 152.19 30.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.614 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 115.58 4.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.48 ' CD ' HD11 ' B' ' 452' ' ' LEU . 1.1 tt0 -68.98 -31.58 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.2 OUTLIER -69.01 -8.03 41.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.911 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -108.23 1.31 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 111.014 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.911 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -127.25 174.84 8.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.74 147.12 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -85.74 136.23 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' B' ' 482' ' ' PRO . 23.0 t -107.18 140.35 21.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 482' ' ' PRO . . . . . 0.454 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -79.66 122.46 83.64 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.22 15.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 30.9 p -67.16 133.97 93.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 172.67 15.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 111.002 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.94 38.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.76 130.38 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 p -92.13 158.19 39.7 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.011 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.35 16.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.87 82.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.608 ' CZ ' HG22 ' B' ' 472' ' ' VAL . 40.0 mtp180 -78.74 88.84 4.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.84 119.31 24.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.69 113.94 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.598 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -57.37 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 0.72 . . . . 0.0 110.261 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 404' ' ' LEU . . . . . 0.578 HD23 ' N ' ' B' ' 404' ' ' LEU . 0.6 OUTLIER -127.96 -46.23 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -116.74 155.42 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.93 160.08 61.53 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.127 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.407 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.0 134.83 18.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 143.13 28.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.02 -22.48 22.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.09 146.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -105.72 -71.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.515 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 15.8 p90 -160.28 179.55 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.5 145.17 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.613 ' CG1' HG23 ' B' ' 438' ' ' VAL . 2.9 m -125.42 166.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.9 121.53 21.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.612 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -68.88 151.95 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.499 ' OE1' HD21 ' A' ' 56' ' ' LEU . 3.7 mt-30 -121.07 -0.63 9.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 81.6 m-70 -145.58 169.86 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.667 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.28 103.61 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.84 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.1 t80 -115.3 109.62 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 8.4 m -78.3 113.17 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.84 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.6 117.23 31.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.0 p -119.6 93.02 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t0 -141.83 -175.14 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 3.6 t -81.66 -11.33 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.93 39.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.59 ' CG ' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -91.84 161.77 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.489 HD22 ' O ' ' B' ' 454' ' ' GLY . 12.4 tp -122.61 113.1 18.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.551 ' C ' HD22 ' B' ' 430' ' ' LEU . 2.3 tt0 -78.37 137.06 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 1.007 HD11 HG21 ' B' ' 436' ' ' VAL . 3.7 mm? -130.37 143.81 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.38 132.74 53.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -38.94 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.29 48.77 1.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.528 ' OD2' HD13 ' B' ' 430' ' ' LEU . 30.0 t70 -111.63 169.4 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.597 HG23 ' CB ' ' B' ' 457' ' ' GLU . 9.2 m -117.04 128.33 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 1.007 HG21 HD11 ' B' ' 430' ' ' LEU . 19.6 t -138.11 148.76 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.854 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -108.78 132.82 53.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' B' ' 414' ' ' VAL . 37.1 t -86.25 110.68 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.73 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -115.88 153.75 48.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -56.73 -177.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -82.71 -15.37 52.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -171.43 147.79 2.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.42 11.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' B' ' 446' ' ' GLU . 0.0 OUTLIER -68.94 -26.24 64.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.457 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -81.59 -16.03 52.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.529 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.5 tt0 -67.82 149.93 49.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 6.6 t0 -107.67 152.93 23.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.76 112.3 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.04 63.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.886 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.45 150.85 50.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.886 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -139.08 172.17 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.416 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -87.79 113.47 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.73 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.03 174.37 21.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.854 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.9 p -136.66 146.05 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.422 ' CG ' HG22 ' B' ' 436' ' ' VAL . 0.9 OUTLIER -81.8 160.88 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.597 ' CB ' HG23 ' B' ' 435' ' ' VAL . 4.4 tt0 -58.25 -42.15 85.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -44.36 97.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.9 -33.17 73.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.598 ' CD1' ' HD2' ' B' ' 403' ' ' ARG . 4.6 t90 -52.97 -47.8 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -54.77 -26.03 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' B' ' 464' ' ' LYS . 63.8 mm-40 -91.82 17.94 8.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 463' ' ' HIS . . . . . 0.548 ' O ' HD23 ' B' ' 466' ' ' LEU . 3.1 t60 -45.05 -24.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.45 -30.45 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.76 49.21 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 463' ' ' HIS . 1.1 pp -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.83 -17.08 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.43 7.66 15.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.43 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.5 OUTLIER -108.93 -23.81 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -50.34 142.46 10.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.416 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -159.98 178.83 35.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.608 HG22 ' CZ ' ' A' ' 65' ' ' ARG . 29.2 t -124.69 142.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -149.05 152.54 36.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.795 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.5 tt0 -68.28 -27.62 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -72.8 -6.85 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.874 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -109.96 2.38 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.874 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -127.23 177.23 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.4 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.28 143.71 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -82.69 134.25 35.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.5 HG23 ' HA ' ' B' ' 414' ' ' VAL . 39.9 t -103.95 115.92 62.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 56' ' ' LEU . 4.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.694 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -100.1 119.48 59.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.29 16.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -67.17 131.13 93.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.06 170.73 19.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.74 38.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 128.78 38.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 p -93.61 158.64 36.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.14 16.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -73.67 89.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.568 ' CB ' HG21 ' B' ' 472' ' ' VAL . 0.0 OUTLIER -78.99 94.24 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.61 111.56 19.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.0 t -132.27 80.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.558 1.161 . . . . 0.0 110.977 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.662 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -107.36 145.22 33.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.23 -34.77 10.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.562 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 32.8 m-20 -74.25 156.68 36.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.45 158.01 32.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -75.04 135.17 18.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.97 137.1 21.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.91 -22.54 21.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.1 t80 -36.5 147.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 411' ' ' MET . . . . . 0.455 ' CE ' ' CG1' ' B' ' 438' ' ' VAL . 7.2 mtt -104.55 -70.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 16.1 p90 -159.05 174.7 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.43 ' HZ3' ' HB3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -95.14 141.26 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.847 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.2 m -123.86 165.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.12 121.45 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.11 150.88 48.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.51 -0.83 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.614 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.4 m-70 -142.93 168.88 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -110.3 103.0 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.815 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.8 t80 -115.81 110.32 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -82.02 114.43 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.815 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -109.52 117.38 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 60.7 p -116.94 92.68 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.57 -174.56 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.7 t -91.82 7.36 42.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -177.64 59.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.463 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.4 OUTLIER -119.02 171.37 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.412 HD13 ' HA3' ' B' ' 471' ' ' GLY . 7.0 tp -122.79 113.53 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.744 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.0 tt0 -80.64 134.9 35.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.929 HD11 HG21 ' B' ' 436' ' ' VAL . 3.5 mm? -126.22 138.62 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -122.64 124.71 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -33.76 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.2 46.9 1.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.51 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.8 t0 -109.91 169.08 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.583 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.1 OUTLIER -119.08 115.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.929 HG21 HD11 ' B' ' 430' ' ' LEU . 10.1 t -127.72 143.02 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.951 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.1 OUTLIER -107.99 132.96 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.455 ' CG1' ' CE ' ' B' ' 411' ' ' MET . 4.3 t -83.01 112.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.767 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.54 151.19 49.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -57.38 177.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.424 ' CG ' ' OE1' ' B' ' 446' ' ' GLU . 14.2 pt20 -88.03 5.43 40.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 443' ' ' ASN . . . . . 0.413 ' CB ' ' OE1' ' B' ' 446' ' ' GLU . 0.6 OUTLIER 170.81 150.6 0.18 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.61 15.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.82 -14.57 62.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.424 ' OE1' ' CG ' ' B' ' 442' ' ' GLN . 7.7 mt-10 -96.02 5.36 51.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.401 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 0.9 OUTLIER -99.16 153.3 19.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.503 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 23.5 t70 -114.53 158.76 21.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.71 111.55 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.06 -3.92 62.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.601 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.9 OUTLIER -135.77 143.36 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.43 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -129.16 171.28 12.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.459 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.767 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -133.73 176.57 19.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.951 HG13 ' HG ' ' B' ' 437' ' ' LEU . 4.1 p -138.22 144.94 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -78.06 162.72 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.0 tt0 -59.56 -45.26 92.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -43.34 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.502 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 59.7 m-20 -59.74 -32.03 70.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.681 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.6 t90 -52.47 -46.99 66.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.43 -24.57 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.46 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.1 OUTLIER -84.3 17.91 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 463' ' ' HIS . . . . . 0.662 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.3 OUTLIER -44.71 -23.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.1 OUTLIER -57.02 -30.28 64.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 49.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.438 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -61.4 -31.09 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.89 -29.08 59.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 8.42 39.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -102.66 -22.53 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -50.87 137.61 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.459 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -156.97 179.22 32.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.568 HG21 ' CB ' ' A' ' 65' ' ' ARG . 10.1 t -122.45 143.33 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.442 ' HZ ' HG22 ' B' ' 438' ' ' VAL . 16.9 p90 -148.54 148.48 28.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.601 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.36 -29.26 67.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.54 -6.17 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.886 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.51 1.15 15.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.886 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.95 171.72 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -125.91 144.55 50.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.1 OUTLIER -82.8 136.68 34.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' B' ' 414' ' ' VAL . 28.0 t -112.04 117.6 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -92.0 118.76 68.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.21 33.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.4 t -68.97 130.25 91.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 58' ' ' THR . 18.3 Cg_endo -75.01 171.06 19.06 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 110.959 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.89 37.88 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 129.37 41.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 p -92.56 158.03 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.4 Cg_endo -75.0 172.15 16.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.09 80.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HB2' HG21 ' B' ' 472' ' ' VAL . 0.6 OUTLIER -79.48 80.75 5.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HA ' ' OD2' ' B' ' 426' ' ' ASP . 3.3 ppt_? -119.12 118.76 32.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.247 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 p -114.42 134.85 54.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -67.76 -174.21 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 404' ' ' LEU . . . . . 0.404 HD23 ' N ' ' B' ' 404' ' ' LEU . 0.9 OUTLIER -123.65 -42.99 2.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -104.07 152.62 21.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.24 160.09 43.44 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -75.01 134.05 17.33 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -74.99 145.31 31.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.87 -21.02 21.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.495 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 20.0 t80 -36.87 151.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.27 -70.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 20.0 p90 -158.12 -179.93 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.659 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -101.92 144.09 30.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.809 HG22 ' O ' ' B' ' 436' ' ' VAL . 10.1 m -122.78 165.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.6 OUTLIER -133.2 119.1 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.618 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.53 142.79 57.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.455 ' OE1' HD11 ' A' ' 56' ' ' LEU . 3.7 mt-30 -114.35 -1.26 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.611 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 44.3 m-70 -144.65 170.41 16.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 9.3 p-10 -111.07 105.72 14.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.97 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.5 t80 -115.76 124.44 50.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -88.15 114.2 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.97 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.5 116.39 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -119.46 93.15 3.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.453 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 5.5 t0 -142.9 -175.2 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -89.76 0.15 57.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 426' ' ' ASP . . . . . 0.418 ' OD2' ' HA ' ' A' ' 66' ' ' ARG . 3.3 m-20 -164.22 32.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.483 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.8 mm-40 -91.03 167.56 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.847 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -128.08 113.59 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.582 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.0 tt0 -77.59 139.66 39.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 1.036 HD11 HG21 ' B' ' 436' ' ' VAL . 4.1 mm? -129.73 143.06 50.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.529 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.58 125.23 39.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.15 108.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.63 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.605 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 5.0 t0 -104.79 165.55 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.659 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -119.68 115.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 1.036 HG21 HD11 ' B' ' 430' ' ' LEU . 53.5 t -125.92 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.644 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -105.62 131.92 52.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.525 HG23 HG13 ' B' ' 414' ' ' VAL . 52.9 t -83.6 110.85 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.695 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.03 153.37 52.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.84 178.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.37 11.72 31.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 443' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' B' ' 446' ' ' GLU . 0.4 OUTLIER 168.04 149.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.92 20.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -73.37 -18.23 61.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 110.276 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.43 ' C ' ' HD3' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -91.98 4.14 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -99.82 142.16 31.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.242 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.475 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 34.6 t70 -119.48 135.31 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.71 117.42 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.12 -5.3 68.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.702 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -135.93 156.99 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.702 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -145.91 171.73 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.421 ' SD ' ' OE2' ' B' ' 446' ' ' GLU . 0.0 OUTLIER -86.21 112.66 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.695 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.32 165.64 25.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.925 HG22 ' HB2' ' B' ' 459' ' ' ASP . 2.2 p -126.39 145.27 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 109.246 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.47 ' CG ' HG22 ' B' ' 436' ' ' VAL . 2.1 mtmp? -78.61 162.64 26.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.597 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.3 tt0 -58.19 -42.56 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -35.59 80.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.925 ' HB2' HG22 ' B' ' 455' ' ' VAL . 23.8 m-20 -66.29 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.644 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.5 -47.89 66.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.3 OUTLIER -93.2 17.75 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 463' ' ' HIS . . . . . 0.518 ' O ' HD23 ' B' ' 466' ' ' LEU . 0.0 OUTLIER -45.4 -23.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 16.6 mtmt -58.28 -30.76 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -138.63 51.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.518 HD23 ' O ' ' B' ' 463' ' ' HIS . 1.7 pp -62.44 -30.55 71.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.4 -34.31 61.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 7.78 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.69 -18.36 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 470' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 2.3 mtt180 -58.39 151.6 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.847 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -165.44 -178.61 38.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 65' ' ' ARG . 71.0 t -118.94 143.13 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.463 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 15.8 p90 -146.4 149.68 38.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.579 ' HB3' HD21 ' B' ' 452' ' ' LEU . 2.6 tt0 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.7 OUTLIER -73.05 -4.98 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.924 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.18 4.26 15.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.924 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.15 174.33 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -125.5 144.32 50.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.552 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 3.7 mtt180 -82.28 131.63 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' B' ' 415' ' ' GLN . 49.0 t -113.97 131.63 23.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.462 1.77 . . . . 0.0 110.983 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 2.0 mp -77.84 119.74 78.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 131.34 14.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 14.3 m -68.02 133.6 91.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 58' ' ' THR . 18.1 Cg_endo -75.07 171.47 18.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.53 38.59 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.53 129.69 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.8 p -92.83 158.92 37.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.3 Cg_endo -74.95 172.25 16.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.0 p -72.78 80.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.543 ' HB2' HG21 ' B' ' 472' ' ' VAL . 1.9 mmp_? -79.41 82.87 5.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HA ' ' CB ' ' B' ' 426' ' ' ASP . 0.0 OUTLIER -83.56 116.43 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t -93.3 -61.09 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.567 1.167 . . . . 0.0 111.035 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.657 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -108.54 140.02 42.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 0.728 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.96 -35.34 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.525 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 14.9 m-20 -72.44 155.1 40.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 157.9 32.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.416 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -74.96 135.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.34 20.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 409' ' ' GLY . . . . . . . . . . . . . . . 91.22 -22.01 31.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.3 t80 -36.88 147.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.76 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.75 -68.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.692 ' CZ ' HG21 ' B' ' 438' ' ' VAL . 19.7 p90 -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.484 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -104.24 147.12 27.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.626 ' CG1' HG23 ' B' ' 438' ' ' VAL . 1.4 m -131.38 167.68 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -133.33 129.74 37.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.735 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -73.46 143.39 46.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.465 ' NE2' ' OE2' ' B' ' 479' ' ' GLU . 3.3 mt-30 -113.1 -2.77 14.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 78.4 m-70 -143.6 170.12 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.654 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -111.0 102.36 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 1.012 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.6 t80 -115.55 115.25 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -81.5 114.0 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 1.012 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.88 116.07 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -120.17 93.3 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.65 -175.19 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -79.66 -12.71 59.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 426' ' ' ASP . . . . . 0.405 ' CB ' ' HA ' ' A' ' 66' ' ' ARG . 1.1 m-20 -156.06 41.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.72 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.3 OUTLIER -94.3 162.86 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.864 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.48 112.64 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.536 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -76.22 136.81 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.943 HD11 ' CG2' ' B' ' 436' ' ' VAL . 3.3 mm? -128.68 147.65 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.459 ' CD ' ' OD1' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -127.9 130.34 48.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.03 98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.38 49.74 1.52 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.529 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 3.0 t70 -109.74 173.0 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.7 OUTLIER -120.78 125.75 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.943 ' CG2' HD11 ' B' ' 430' ' ' LEU . 20.1 t -135.56 148.54 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.601 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.7 122.45 47.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.692 HG21 ' CZ ' ' B' ' 412' ' ' PHE . 43.7 t -72.87 111.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.783 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.15 153.58 55.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.18 4.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -54.93 177.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.502 ' O ' ' ND2' ' B' ' 443' ' ' ASN . 0.0 OUTLIER -87.29 -3.86 59.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 443' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' B' ' 442' ' ' GLN . 0.3 OUTLIER 179.95 161.67 0.86 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.43 20.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -18.48 59.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 25.0 mt-10 -86.64 -2.84 58.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.45 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 2.6 tt0 -100.1 143.58 30.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 29.3 t70 -122.44 141.28 51.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.25 114.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.34 64.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.657 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -135.1 160.27 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.657 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -147.88 170.95 16.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.551 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -86.84 112.83 22.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.783 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.65 165.47 24.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.727 HG12 HD12 ' B' ' 439' ' ' ILE . 7.3 p -125.62 143.5 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.738 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.1 OUTLIER -80.93 161.97 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.3 tt0 -58.44 -39.39 79.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -45.44 91.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 76.8 m-20 -59.73 -31.61 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.601 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.07 -48.01 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -67.29 -24.02 65.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' B' ' 464' ' ' LYS . 69.1 mm-40 -82.73 17.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.322 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 463' ' ' HIS . . . . . 0.657 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.1 OUTLIER -45.05 -23.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.9 tttt -56.59 -30.05 62.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.68 52.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.453 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.4 OUTLIER -61.33 -31.67 71.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.74 -17.78 25.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 8.07 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -104.01 -29.33 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 470' ' ' ARG . . . . . 0.456 ' NH2' ' OE1' ' B' ' 442' ' ' GLN . 1.9 mtt180 -50.93 142.58 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.864 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -158.84 -177.22 31.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 65' ' ' ARG . 40.0 t -121.3 142.92 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.7 p90 -147.88 149.61 33.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.605 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 115.47 4.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.514 ' CB ' HD21 ' B' ' 452' ' ' LEU . 1.5 tt0 -68.5 -30.09 68.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -6.15 39.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.8 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.1 OUTLIER -111.26 2.22 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.8 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.1 p -127.0 177.21 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 479' ' ' GLU . . . . . 0.465 ' OE2' ' NE2' ' B' ' 417' ' ' GLN . 4.7 tt0 -129.92 140.48 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.46 ' HD2' ' CE2' ' B' ' 412' ' ' PHE . 14.6 mtm-85 -80.19 136.83 36.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' B' ' 414' ' ' VAL . 59.6 t -105.19 116.32 60.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.672 ' C ' HD23 ' A' ' 56' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.847 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -108.38 116.7 56.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.52 17.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 t -66.56 132.91 94.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.03 170.48 20.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.32 37.25 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 130.73 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 p -90.99 158.63 41.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.9 m -70.62 81.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.532 ' NH1' ' HA ' ' B' ' 446' ' ' GLU . 0.0 OUTLIER -78.51 87.2 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.294 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -83.97 111.54 19.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.0 t -72.99 -61.99 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.557 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -66.07 -174.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.757 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.59 -39.82 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -115.21 154.24 29.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 159.63 56.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -74.97 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.01 140.63 25.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.812 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 91.05 -22.57 28.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 18.9 t80 -35.97 152.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.3 mtt -112.47 -69.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.4 p90 -160.35 174.22 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.558 ' HG2' HD22 ' B' ' 437' ' ' LEU . 0.0 OUTLIER -96.83 135.59 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.857 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.5 m -121.07 167.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.1 OUTLIER -135.11 134.96 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.852 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -78.62 155.21 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -121.98 -0.25 9.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.591 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 70.8 m-70 -144.67 169.42 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -108.36 105.26 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.895 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.52 111.67 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -77.89 113.55 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.895 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.29 117.07 31.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 66.7 p -118.91 93.93 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.8 t0 -141.46 -174.93 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 10.2 t -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -164.7 40.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 1.7 mm-40 -93.38 170.39 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.647 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -127.34 112.98 15.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.757 ' C ' HD22 ' B' ' 430' ' ' LEU . 2.5 tt0 -77.22 140.42 40.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 1.054 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -130.64 144.99 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.476 ' CD ' ' HB2' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -129.37 130.07 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.94 99.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.9 42.44 2.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.654 ' OD2' HD13 ' B' ' 430' ' ' LEU . 21.2 t70 -106.47 169.1 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.771 . . . . 0.0 109.303 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.2 OUTLIER -117.46 126.82 74.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 1.054 HG21 HD11 ' B' ' 430' ' ' LEU . 15.5 t -137.1 136.15 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.768 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -98.73 132.75 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.537 HG23 ' CG1' ' B' ' 414' ' ' VAL . 38.9 t -84.73 110.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.704 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.45 154.31 48.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -57.39 -178.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -22.82 31.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -162.82 147.24 9.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.64 15.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.811 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -21.1 62.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.532 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 27.5 mt-10 -85.37 -29.64 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.1 tt0 -60.25 134.23 56.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.622 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.9 t0 -93.63 152.12 19.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.45 111.88 6.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.51 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.16 -2.12 61.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.83 140.4 42.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.554 HD11 ' CD ' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -127.36 169.84 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.38 112.56 22.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.704 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.67 170.94 22.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.768 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.4 p -131.63 142.49 43.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.08 160.9 28.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.538 ' HB3' HG23 ' B' ' 435' ' ' VAL . 4.9 tt0 -58.56 -40.06 82.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -37.48 87.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.722 ' HB2' HG22 ' B' ' 455' ' ' VAL . 63.3 m-20 -67.14 -32.64 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.654 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -51.42 -47.71 62.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -57.08 -25.78 59.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.1 OUTLIER -91.8 16.82 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.12 -23.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.1 ptmt -57.61 -30.53 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -135.45 49.65 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.4 OUTLIER -59.65 -31.75 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.65 -32.09 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.97 8.56 32.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.6 -18.78 13.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 470' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.8 mtt180 -55.06 154.45 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.647 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -164.11 -178.15 37.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.16 143.36 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -151.08 153.14 32.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.609 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.554 ' CD ' HD11 ' B' ' 452' ' ' LEU . 1.3 tt0 -68.9 -30.33 68.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.33 -18.51 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 1.017 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -99.99 3.66 44.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 478' ' ' THR . . . . . 1.017 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -132.65 175.15 9.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.31 128.49 25.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.491 ' HA ' HG12 ' B' ' 414' ' ' VAL . 8.8 ptt180 -76.06 141.85 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 11.9 t -98.87 122.35 53.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 56' ' ' LEU . 12.3 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -120.67 82.64 34.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.65 22.01 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 9.7 t -65.72 129.97 94.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.392 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.567 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 162.86 36.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -58.67 127.84 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.406 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 65.8 p -93.29 158.07 37.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.34 16.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -72.82 83.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.524 ' CZ ' ' O ' ' B' ' 445' ' ' GLU . 0.0 OUTLIER -79.15 90.75 4.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -98.6 113.97 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.3 p -46.11 124.09 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -178.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -120.21 -39.77 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -114.23 152.61 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.09 160.4 60.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.96 134.48 17.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 144.18 29.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.42 ' HA3' ' CG ' ' B' ' 440' ' ' PRO . . . 87.69 -19.89 30.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 15.6 t80 -37.13 149.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 0.722 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 411' ' ' MET . . . . . 0.488 ' CE ' HG12 ' B' ' 438' ' ' VAL . 11.5 mtt -107.44 -71.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 19.0 p90 -159.58 -179.78 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.482 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.3 OUTLIER -98.69 143.65 28.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.611 ' CG1' HG23 ' B' ' 438' ' ' VAL . 3.8 m -124.77 165.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.2 OUTLIER -132.89 123.86 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.669 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -72.01 144.09 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.632 ' OE1' HD21 ' A' ' 56' ' ' LEU . 3.0 mt-30 -115.88 -4.89 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 76.3 m-70 -138.44 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -111.03 105.75 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.839 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.7 t80 -115.89 123.11 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -91.39 113.24 25.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.839 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -106.97 117.4 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.3 p -116.88 91.91 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.411 ' H ' ' CG ' ' B' ' 427' ' ' GLU . 2.9 t0 -144.5 -173.65 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 10.39 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.16 52.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.574 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.1 OUTLIER -110.0 171.73 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.71 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -122.71 113.16 18.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.692 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.3 tt0 -80.43 136.31 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.98 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -126.7 141.97 51.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.2 123.93 37.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.92 104.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.03 49.56 2.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.548 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.2 t70 -111.19 170.12 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.625 HG23 ' CB ' ' B' ' 457' ' ' GLU . 2.0 m -119.98 119.79 61.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.98 HG21 HD11 ' B' ' 430' ' ' LEU . 24.7 t -130.45 149.32 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.781 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -113.04 127.44 56.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.611 HG23 ' CG1' ' B' ' 414' ' ' VAL . 59.1 t -78.28 115.97 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.696 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -124.43 153.91 69.28 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 440' ' ' PRO . . . . . 0.42 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.2 Cg_endo -75.01 116.57 4.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.15 178.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.13 7.53 31.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 165.24 160.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.93 19.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.524 ' O ' ' CZ ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -72.97 -21.0 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.47 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 72.1 mm-40 -88.21 -0.98 57.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.536 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.8 tt0 -98.76 139.17 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.587 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.9 t70 -108.73 157.5 18.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 108.05 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.538 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 98.68 -1.62 58.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.4 OUTLIER -138.12 138.27 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.442 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -123.4 171.1 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' B' ' 441' ' ' PHE . 0.2 OUTLIER -86.46 112.83 21.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.696 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.86 173.11 21.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.781 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.5 p -133.4 144.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.522 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.5 mtmp? -81.68 161.31 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.625 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.6 tt0 -58.1 -42.99 86.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.68 ' HB2' HG22 ' B' ' 455' ' ' VAL . 1.5 m-20 -63.37 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.652 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -52.08 -47.97 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -53.95 -26.18 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.7 OUTLIER -97.2 17.83 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -45.55 -23.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.611 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.73 -30.19 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -135.21 51.36 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.7 OUTLIER -68.85 -30.13 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -53.01 -32.48 46.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -109.71 8.64 24.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.11 -22.17 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 470' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 11.3 mtt180 -51.78 153.18 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.71 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -158.08 -178.61 32.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 9.8 t -122.84 143.19 36.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -149.89 150.2 29.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -31.49 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.404 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.3 p30 -70.17 -6.58 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.894 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -110.55 0.6 17.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.894 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.03 173.16 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.41 145.86 47.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.7 OUTLIER -88.09 126.09 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.33 130.58 24.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.66 ' C ' HD12 ' A' ' 56' ' ' LEU . 4.5 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.791 HD12 ' N ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -115.24 93.66 36.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.22 25.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -67.34 131.19 93.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.99 170.76 19.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.31 38.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.08 128.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 p -92.95 159.07 36.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HG2' ' NE ' ' A' ' 65' ' ' ARG . 18.4 Cg_endo -74.96 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.6 p -72.09 90.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.55 ' CB ' HG21 ' B' ' 472' ' ' VAL . 0.2 OUTLIER -79.37 80.65 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -118.07 84.51 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m 57.21 -176.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.667 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -107.21 143.53 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.6 -35.91 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.551 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 11.0 m-20 -72.74 156.03 39.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.53 157.66 33.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -75.0 135.45 19.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.99 135.42 19.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 93.03 -23.71 28.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' B' ' 409' ' ' GLY . 22.8 t80 -36.23 149.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.3 mtt -112.01 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 30.0 p90 -154.42 -179.57 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 111.05 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.63 152.15 21.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.598 HG22 ' O ' ' B' ' 436' ' ' VAL . 5.0 m -130.56 165.95 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.98 123.08 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.975 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -70.02 141.77 52.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -113.59 -2.2 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 83.5 m-70 -143.62 169.23 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' B' ' 431' ' ' LYS . 12.9 t70 -111.75 103.88 12.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 1.119 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.9 t80 -116.24 125.33 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -87.27 113.17 22.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 1.119 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.89 116.15 29.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.5 p -120.1 93.76 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.7 t70 -142.61 -175.25 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.6 t -88.58 -4.84 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.33 35.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -93.23 170.65 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.889 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -131.77 113.79 13.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.788 ' O ' HD22 ' B' ' 430' ' ' LEU . 2.5 tt0 -75.67 139.9 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.975 HD12 ' HB2' ' B' ' 416' ' ' ALA . 3.2 mm? -130.36 140.3 50.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.34 125.01 43.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -32.72 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.58 47.5 2.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.586 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 8.2 t0 -108.83 170.09 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.643 HG23 ' CB ' ' B' ' 457' ' ' GLU . 13.7 m -119.54 124.24 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.598 ' O ' HG22 ' B' ' 414' ' ' VAL . 42.7 t -136.13 149.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.78 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.76 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.557 HG23 ' CG1' ' B' ' 414' ' ' VAL . 3.2 t -84.87 113.03 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.671 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.41 153.28 51.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -56.99 178.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.49 -3.08 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 443' ' ' ASN . . . . . 0.504 ' CB ' ' OE1' ' B' ' 446' ' ' GLU . 0.3 OUTLIER 172.49 147.29 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -17.52 19.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -17.08 62.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.504 ' OE1' ' CB ' ' B' ' 443' ' ' ASN . 4.3 mp0 -91.82 -29.58 16.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.574 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 4.2 tt0 -54.39 132.44 44.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.2 t70 -90.56 154.83 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.77 112.72 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.65 -5.06 66.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CE3' ' HD3' ' B' ' 474' ' ' PRO . 1.2 m95 -134.01 146.52 50.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -129.43 170.71 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.423 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -88.99 113.37 24.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.671 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.82 175.85 20.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.78 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.6 p -136.67 144.11 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.328 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.467 ' CG ' HG22 ' B' ' 436' ' ' VAL . 1.9 mtmp? -79.73 160.73 26.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.643 ' CB ' HG23 ' B' ' 435' ' ' VAL . 1.9 tt0 -58.09 -42.64 86.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 1.6 t -59.89 -44.13 94.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 82.9 m-20 -59.73 -32.13 70.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.67 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.8 -47.46 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -67.12 -24.91 65.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.444 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -84.52 17.89 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 463' ' ' HIS . . . . . 0.667 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.4 OUTLIER -45.22 -23.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.633 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mmtt -56.89 -30.08 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.14 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.459 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -62.55 -31.48 72.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 467' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 4.5 mt-10 -59.08 -17.7 28.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -115.15 8.16 15.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.7 OUTLIER -105.08 -26.87 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.258 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.34 139.52 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.889 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -155.69 -178.77 30.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.55 HG21 ' CB ' ' A' ' 65' ' ' ARG . 54.8 t -120.86 142.77 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -145.74 147.56 33.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.622 ' HD3' ' CE3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -69.09 -31.57 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -70.32 -5.55 28.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.927 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.16 0.68 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.927 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.9 OUTLIER -128.16 177.67 6.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.21 145.08 51.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.9 mtt180 -84.78 137.56 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.578 HG13 ' HD2' ' B' ' 482' ' ' PRO . 84.6 t -111.52 141.15 23.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 482' ' ' PRO . . . . . 0.578 ' HD2' HG13 ' B' ' 481' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.416 ' C ' HD13 ' A' ' 56' ' ' LEU . 2.4 pp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.936 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.54 121.91 84.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.86 41.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.762 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 71.7 p -72.06 132.67 84.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 171.89 17.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.25 39.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 128.2 35.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.9 p -93.77 157.89 37.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.03 173.06 15.16 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.5 p -72.25 93.72 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.604 ' CB ' HG21 ' B' ' 472' ' ' VAL . 0.0 OUTLIER -79.41 101.08 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.59 114.71 20.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.37 -45.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.522 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -85.79 -173.28 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.75 -42.61 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.84 153.54 25.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.5 160.42 56.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -74.94 135.07 18.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.98 144.98 30.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.062 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.48 -21.78 19.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.442 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 16.7 t80 -36.74 146.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.9 mtt -108.43 -69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.442 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 28.0 p90 -157.92 -179.84 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.747 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.3 OUTLIER -102.76 146.38 28.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.601 ' CG1' HG23 ' B' ' 438' ' ' VAL . 2.8 m -125.63 167.65 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -134.52 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 1.05 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -73.14 146.78 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -116.76 -2.32 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.2 m-70 -143.21 170.95 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 11.9 p-10 -111.83 102.1 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 1.094 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.7 t80 -115.95 118.69 33.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 45.6 m -85.47 113.74 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 1.094 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.8 115.9 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.3 p -120.56 93.65 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.3 t0 -142.05 -175.41 4.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -76.35 -16.25 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.88 43.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.831 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.5 OUTLIER -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.352 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.7 tp -123.4 113.32 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.76 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.1 tt0 -77.19 136.96 38.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 1.05 HD12 ' HB2' ' B' ' 416' ' ' ALA . 3.6 mm? -128.95 140.28 51.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.25 126.26 46.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.24 98.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.11 48.06 1.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.525 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 9.8 t0 -109.75 169.0 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.747 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.7 OUTLIER -120.48 122.19 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.939 HG22 ' HG3' ' B' ' 456' ' ' LYS . 39.1 t -131.07 148.92 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.856 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.88 125.14 52.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.601 HG23 ' CG1' ' B' ' 414' ' ' VAL . 24.2 t -78.74 110.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.695 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.8 153.72 49.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.03 4.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -58.48 -177.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.558 ' O ' ' ND2' ' B' ' 443' ' ' ASN . 0.0 OUTLIER -76.77 -22.65 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 443' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' B' ' 442' ' ' GLN . 0.7 OUTLIER -171.49 155.44 4.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.92 17.39 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -10.75 60.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 45.4 mt-10 -104.12 11.43 35.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -95.68 142.95 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.501 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 27.9 t70 -103.22 152.68 21.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.83 115.43 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.03 -4.49 65.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.057 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.811 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.1 m95 -134.96 161.48 35.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.811 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -148.67 172.29 14.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.487 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.48 112.94 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.695 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -138.64 174.69 21.91 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.856 HG13 ' HG ' ' B' ' 437' ' ' LEU . 12.1 p -136.64 140.87 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.939 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.1 OUTLIER -78.19 161.73 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.656 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.6 tt0 -58.15 -36.33 72.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.04 74.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.513 ' HB2' HG22 ' B' ' 455' ' ' VAL . 0.9 OUTLIER -60.04 -32.83 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.621 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.1 t90 -51.97 -47.95 64.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -56.0 -25.69 45.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.2 OUTLIER -90.32 17.38 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 463' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -45.61 -23.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.576 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mttt -58.1 -31.45 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 465' ' ' LYS . . . . . 0.44 ' HB3' ' CG ' ' B' ' 468' ' ' LYS . 3.2 mttt -142.94 57.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.94 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -54.51 -33.67 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 468' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -104.53 8.75 35.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.404 ' SG ' ' OD2' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -113.95 -10.02 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.355 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -55.29 156.57 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.487 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -165.22 178.01 40.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.604 HG21 ' CB ' ' A' ' 65' ' ' ARG . 44.4 t -120.62 143.38 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.526 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.1 p90 -141.84 144.97 34.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.709 ' HB3' HD21 ' B' ' 452' ' ' LEU . 2.3 tt0 -68.04 -27.56 66.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.4 OUTLIER -72.12 -5.66 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.857 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -116.6 3.38 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.857 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.6 OUTLIER -128.64 175.87 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.38 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -130.95 141.19 50.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.44 ' HD2' ' CE1' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -80.9 139.71 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' B' ' 414' ' ' VAL . 40.0 t -111.5 135.95 21.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.462 1.77 . . . . 0.0 111.006 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.924 HD12 ' NE2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -80.95 121.23 80.62 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.43 42.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 75.4 p -68.15 129.49 92.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 171.32 18.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.962 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.41 37.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -59.5 128.58 37.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.2 p -92.98 158.57 37.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 173.33 14.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.8 p -72.68 89.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.562 ' CB ' HG21 ' B' ' 472' ' ' VAL . 0.0 OUTLIER -78.51 104.02 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.86 120.66 24.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' GLY . 69.1 m -152.18 -61.75 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' B' ' 467' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -62.31 -173.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 404' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' B' ' 405' ' ' ASP . 0.6 OUTLIER -122.78 -40.39 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.415 ' N ' ' HG ' ' B' ' 404' ' ' LEU . 11.0 m-20 -110.02 155.2 22.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.12 160.01 38.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.02 133.91 17.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -74.98 144.61 30.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.26 -22.01 17.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.472 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.5 t80 -36.51 147.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 411' ' ' MET . . . . . 0.447 ' CE ' HG12 ' B' ' 438' ' ' VAL . 10.0 mtt -108.1 -70.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' B' ' 438' ' ' VAL . 20.5 p90 -157.72 -179.84 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.678 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -103.04 145.29 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.548 HG13 HG23 ' B' ' 438' ' ' VAL . 4.5 m -123.98 165.65 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.6 OUTLIER -131.57 122.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.702 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -70.88 143.58 50.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.544 ' NE2' ' OE1' ' B' ' 479' ' ' GLU . 3.3 mt-30 -114.21 -4.76 13.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.924 ' NE2' HD12 ' A' ' 56' ' ' LEU . 16.2 m-70 -140.07 169.83 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.417 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 13.9 t0 -112.14 105.92 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 1.021 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.1 t80 -116.27 121.83 43.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -84.42 113.74 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 1.021 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.46 116.12 29.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 12.8 p -119.6 93.89 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.489 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.1 t70 -142.31 -175.6 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -86.06 -4.92 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -163.83 38.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.489 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.14 168.71 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.614 HD23 ' CA ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -124.3 113.58 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.707 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -79.91 130.94 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 1.046 HD11 HG21 ' B' ' 436' ' ' VAL . 2.8 mm? -123.5 139.54 53.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -125.66 125.4 43.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -29.71 103.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.9 45.9 2.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.619 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 5.1 t0 -107.22 164.68 11.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.678 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.4 OUTLIER -119.96 117.21 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 1.046 HG21 HD11 ' B' ' 430' ' ' LEU . 47.8 t -126.49 147.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.942 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.19 127.63 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.557 HG21 ' CE1' ' B' ' 412' ' ' PHE . 74.0 t -78.55 115.1 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.743 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -121.55 152.2 57.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -59.1 -179.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.408 ' CG ' ' OE1' ' B' ' 446' ' ' GLU . 19.4 pt20 -84.39 2.25 41.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 443' ' ' ASN . . . . . 0.461 ' CB ' ' OE1' ' B' ' 446' ' ' GLU . 0.5 OUTLIER 169.28 151.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -19.43 17.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.04 -9.79 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.461 ' OE1' ' CB ' ' B' ' 443' ' ' ASN . 2.5 mp0 -101.33 7.87 42.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -95.84 147.34 23.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.598 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 19.5 t70 -108.83 156.24 19.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.8 113.25 11.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.7 -4.62 63.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.658 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.82 160.91 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.658 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -148.09 172.04 14.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.549 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.28 112.58 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.743 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.14 175.89 20.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.942 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.4 p -136.54 139.23 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.47 ' HE2' ' CD1' ' B' ' 428' ' ' LEU . 8.7 mtmt -76.39 160.49 29.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.656 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.9 tt0 -58.92 -40.7 85.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.453 ' HB2' HG22 ' B' ' 455' ' ' VAL . 55.7 m-20 -66.96 -33.74 76.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.703 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -52.68 -47.74 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -56.86 -26.11 57.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 55.5 mm-40 -92.46 17.44 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -45.39 -23.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.598 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -58.3 -32.88 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.92 45.68 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.456 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.3 OUTLIER -54.74 -30.43 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 467' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 68' ' ' GLY . 3.8 tt0 -55.15 -17.43 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.38 8.51 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -109.89 -26.41 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -49.95 143.38 7.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.614 ' CA ' HD23 ' B' ' 428' ' ' LEU . . . -164.72 -177.92 37.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.562 HG21 ' CB ' ' A' ' 65' ' ' ARG . 24.5 t -117.01 143.83 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.534 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.7 p90 -146.1 145.75 25.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 113.23 3.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.562 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.4 tt0 -69.81 -27.01 64.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.44 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.3 p30 -74.04 -3.29 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.892 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -116.45 5.36 13.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.892 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.5 p -129.54 174.09 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.45 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 479' ' ' GLU . . . . . 0.544 ' OE1' ' NE2' ' B' ' 417' ' ' GLN . 8.2 tt0 -124.24 148.03 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 134.5 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.412 HG23 ' HA ' ' B' ' 414' ' ' VAL . 26.2 t -107.48 117.53 55.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' C ' HD13 ' A' ' 56' ' ' LEU . 78.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.961 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -79.84 121.9 82.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.34 37.37 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 62.5 p -79.95 133.68 57.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.55 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 171.91 17.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.13 33.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -57.93 130.58 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 p -91.01 157.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.91 13.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m -71.68 91.3 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.527 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 6.8 mtp180 -78.16 96.12 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -82.43 115.55 21.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -116.69 163.0 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.993 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.666 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -107.83 143.94 35.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.24 -37.64 10.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.531 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 14.4 m-20 -71.64 156.0 39.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.68 157.79 33.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.418 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.01 135.61 19.28 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.05 137.72 21.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.01 -23.49 17.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.6 t80 -36.1 147.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -105.75 -70.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.543 ' CE1' ' HD3' ' B' ' 480' ' ' ARG . 18.4 p90 -157.4 -179.58 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.675 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.2 OUTLIER -99.28 145.82 26.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.784 HG22 ' O ' ' B' ' 436' ' ' VAL . 5.4 m -127.23 164.84 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.65 122.65 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.632 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -69.03 152.93 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -123.81 0.38 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 82.7 m-70 -145.35 169.54 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -110.26 104.33 13.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.865 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.65 104.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -75.47 113.39 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -113.41 119.23 36.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -118.12 93.8 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -143.64 -174.17 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 7.8 t -95.53 1.32 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -165.23 53.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' B' ' 427' ' ' GLU . 0.1 OUTLIER -118.65 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.492 HD13 ' HA3' ' B' ' 471' ' ' GLY . 6.4 tp -129.95 113.34 14.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.66 ' C ' HD22 ' B' ' 430' ' ' LEU . 5.7 tt0 -78.15 137.62 38.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 1.012 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -129.79 146.2 51.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -128.74 130.19 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.76 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 102.87 45.91 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.572 ' OD2' HD13 ' B' ' 430' ' ' LEU . 27.0 t70 -110.21 170.08 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.675 HG12 ' NZ ' ' B' ' 413' ' ' LYS . 0.6 OUTLIER -117.44 128.1 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 1.012 HG21 HD11 ' B' ' 430' ' ' LEU . 25.4 t -137.57 145.1 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.891 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -107.87 133.33 52.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.47 HG23 ' CG1' ' B' ' 414' ' ' VAL . 6.4 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.759 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.22 152.87 55.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -60.1 -175.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -81.97 -25.88 34.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.1 149.39 8.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.15 17.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.86 -27.13 65.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.527 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 8.4 mm-40 -81.38 -28.97 34.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.6 tt0 -54.7 138.66 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.628 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 11.5 t70 -97.66 152.37 19.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 114.03 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.502 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.78 -4.34 63.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.979 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -135.89 158.88 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.979 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -144.91 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.45 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -87.21 113.83 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.759 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.0 177.97 19.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.891 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.0 p -138.03 145.21 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -81.49 161.65 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.572 ' CB ' HG23 ' B' ' 435' ' ' VAL . 6.2 tt0 -57.62 -43.13 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.49 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 18.5 m-20 -59.92 -32.79 71.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.473 ' CD1' ' HD3' ' B' ' 403' ' ' ARG . 3.9 t90 -52.34 -47.71 65.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -67.3 -23.84 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.461 ' C ' ' N ' ' B' ' 464' ' ' LYS . 56.4 mm-40 -82.79 17.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 463' ' ' HIS . . . . . 0.666 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.1 OUTLIER -44.91 -23.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' B' ' 462' ' ' GLN . 7.1 mtmt -56.89 -30.3 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -140.41 53.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.434 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.4 OUTLIER -60.37 -31.84 70.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.09 -17.65 41.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.92 8.07 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.7 OUTLIER -103.55 -24.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.44 137.61 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -155.2 178.65 31.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.418 HG21 ' HD3' ' A' ' 65' ' ' ARG . 74.4 t -122.16 142.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.461 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 16.3 p90 -147.15 147.5 29.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.582 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 117.21 4.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.56 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.1 tt0 -68.86 -30.45 68.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.441 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.18 -5.41 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.836 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.31 0.44 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.836 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.29 179.57 5.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -132.17 150.95 52.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 8.1 mtt180 -88.12 131.46 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.47 115.82 60.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' C ' HD13 ' A' ' 56' ' ' LEU . 69.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.938 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -80.01 121.87 82.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.44 38.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.429 1.752 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 4.3 t -68.97 132.47 90.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.355 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 171.39 18.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.982 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.36 35.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.05 129.86 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 98.0 p -91.62 156.25 43.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.82 15.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.69 87.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.577 ' CZ ' HG22 ' B' ' 472' ' ' VAL . 50.7 mtp180 -78.71 114.94 18.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 119.25 24.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.9 p -108.13 79.22 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.958 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.983 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -70.0 -171.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 404' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' B' ' 405' ' ' ASP . 1.1 pt? -123.32 -43.09 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.406 ' N ' ' HG ' ' B' ' 404' ' ' LEU . 10.0 m-20 -110.53 153.45 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.08 159.92 58.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 134.3 17.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -75.04 141.82 27.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.82 -23.02 18.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.3 t80 -35.91 148.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.2 mtt -106.22 -71.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.559 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 7.9 p90 -160.15 177.09 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.599 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -93.83 139.39 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.962 HG22 ' O ' ' B' ' 436' ' ' VAL . 14.9 m -119.51 167.53 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' B' ' 479' ' ' GLU . 0.0 OUTLIER -133.88 129.33 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' B' ' 430' ' ' LEU . . . -76.76 146.85 37.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -117.5 -0.96 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.56 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.7 m-70 -147.15 168.87 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.572 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -107.84 103.87 13.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -113.83 110.35 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -81.02 113.66 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -113.12 117.94 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.2 p -117.99 93.19 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.6 t70 -142.11 -174.94 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 13.6 t -88.18 -0.79 57.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -165.47 36.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.458 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -92.53 164.2 13.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.401 HD13 ' HA3' ' B' ' 471' ' ' GLY . 1.9 tp -121.86 113.79 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -83.87 136.73 34.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' B' ' 416' ' ' ALA . 0.3 OUTLIER -129.92 151.61 50.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.66 131.28 46.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.39 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.54 44.8 2.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.57 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 26.7 t70 -109.55 169.91 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.608 HG23 ' CB ' ' B' ' 457' ' ' GLU . 1.5 m -117.83 126.85 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.962 ' O ' HG22 ' B' ' 414' ' ' VAL . 37.4 t -135.66 143.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.718 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -102.77 133.25 48.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.489 HG23 ' CG1' ' B' ' 414' ' ' VAL . 7.5 t -87.32 109.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.97 153.3 47.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.17 4.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -57.29 -175.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -86.13 -3.96 59.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 173.57 148.57 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.7 15.59 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.464 1.771 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -24.68 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.469 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 4.6 mm-40 -85.75 -14.73 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.522 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 5.5 tt0 -69.15 137.37 53.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.634 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 4.3 t0 -94.33 149.0 21.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 449' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.5 OUTLIER -69.76 111.69 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.535 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.19 0.26 61.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.634 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.3 m95 -138.64 147.43 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -134.74 172.02 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.37 113.6 23.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.07 172.95 22.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.9 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.9 p -136.88 145.68 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.548 ' HG2' HG22 ' B' ' 436' ' ' VAL . 0.2 OUTLIER -77.98 160.63 28.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.608 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.9 tt0 -57.89 -43.6 86.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -37.91 76.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.9 ' HB2' HG22 ' B' ' 455' ' ' VAL . 25.8 m-20 -66.0 -32.3 73.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.718 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.5 t90 -51.44 -47.06 63.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -57.78 -26.81 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.1 OUTLIER -92.79 16.76 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -23.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 12.8 tttt -57.85 -30.37 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -131.47 48.81 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 3.7 pp -55.03 -31.51 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.08 -18.86 63.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -115.0 7.29 15.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.0 OUTLIER -112.48 -10.84 13.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -60.25 150.62 29.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.401 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -165.14 179.97 39.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.029 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.577 HG22 ' CZ ' ' A' ' 65' ' ' ARG . 23.2 t -125.37 142.72 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.481 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 10.9 p90 -149.3 150.26 31.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 115.43 4.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.717 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.3 tt0 -69.08 -29.85 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.454 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.4 p30 -71.93 -5.4 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.85 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.32 2.27 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.85 HG23 ' CD1' ' B' ' 477' ' ' PHE . 2.0 p -128.22 -179.68 5.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 479' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 415' ' ' GLN . 5.0 tt0 -131.45 150.01 52.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.448 ' HD2' ' CZ ' ' B' ' 412' ' ' PHE . 11.2 mtm-85 -89.84 133.8 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 40.3 t -111.27 115.92 51.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.925 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -79.98 121.6 82.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.43 42.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 4.4 m -71.07 134.01 85.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.96 171.47 18.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 111.023 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.47 33.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.48 130.44 46.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.443 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 88.1 p -90.91 157.1 43.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 173.9 13.7 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.9 p -71.36 93.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.07 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.732 ' HD3' HG21 ' B' ' 472' ' ' VAL . 5.1 mtp180 -78.54 116.24 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.09 116.33 30.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.51 -60.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.406 ' C ' ' OD1' ' B' ' 426' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -63.46 -174.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.99 -40.81 2.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -106.58 153.85 21.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.03 160.35 37.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -75.06 133.57 16.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.0 Cg_endo -75.03 144.27 29.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.04 -23.95 12.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' B' ' 409' ' ' GLY . 19.5 t80 -35.83 147.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.7 mtt -110.06 -69.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.406 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 18.3 p90 -157.17 -179.5 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.632 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -100.27 147.45 25.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.786 HG22 ' O ' ' B' ' 436' ' ' VAL . 11.2 m -125.29 167.43 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -133.12 123.18 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.686 ' HB3' ' H ' ' B' ' 434' ' ' ASP . . . -71.99 145.14 48.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.39 3.15 13.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.4 m-70 -148.13 169.53 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.32 100.43 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 1.0 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -113.07 117.97 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.78 114.67 21.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 1.0 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -110.76 116.33 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 20.2 p -119.8 94.03 4.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 8.9 t -85.54 -5.44 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 426' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 68' ' ' GLY . 70.9 m-20 -163.69 38.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.495 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.58 170.83 9.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.883 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -130.38 113.49 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.456 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.7 tt0 -79.44 141.18 37.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 1.01 HD11 HG21 ' B' ' 436' ' ' VAL . 3.5 mm? -127.44 154.65 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -131.69 127.85 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' B' ' 418' ' ' HIS . . . -39.27 96.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.88 33.06 4.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.686 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.1 t70 -96.2 169.99 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.632 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.6 OUTLIER -115.41 127.13 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 1.01 HG21 HD11 ' B' ' 430' ' ' LEU . 3.3 t -135.34 143.92 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -103.44 130.74 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.474 HG23 ' CG1' ' B' ' 414' ' ' VAL . 3.2 t -85.49 109.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.722 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.05 153.29 48.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 440' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -58.0 -172.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -18.88 32.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.15 152.34 1.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -19.66 17.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.52 -27.83 65.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.518 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 80.3 mt-10 -82.22 -28.96 31.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 6.9 tt0 -54.71 137.55 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.9 t70 -96.98 149.97 21.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.99 113.91 8.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.57 -3.89 63.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.805 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -136.0 159.42 41.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.826 HD21 ' CB ' ' B' ' 475' ' ' GLU . 0.1 OUTLIER -145.17 172.01 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.405 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -87.39 113.5 23.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.722 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.6 176.51 21.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' B' ' 437' ' ' LEU . 12.7 p -138.28 144.84 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.419 ' HG2' ' CG2' ' B' ' 436' ' ' VAL . 0.5 OUTLIER -78.71 160.49 27.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.588 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.7 tt0 -58.68 -43.27 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -36.64 80.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.699 ' HB2' HG22 ' B' ' 455' ' ' VAL . 61.1 m-20 -65.58 -33.37 75.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.663 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.46 -47.67 66.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -56.49 -26.26 53.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.6 OUTLIER -94.48 17.59 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.55 -24.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.571 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.3 mtpt -58.26 -30.74 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 465' ' ' LYS . . . . . 0.421 ' HB3' ' CD ' ' B' ' 468' ' ' LYS . 0.7 OUTLIER -135.61 48.23 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.623 HD12 ' HG2' ' B' ' 470' ' ' ARG . 0.1 OUTLIER -69.47 -29.45 67.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 467' ' ' GLU . . . . . 0.402 ' HA ' ' NH1' ' B' ' 470' ' ' ARG . 5.3 mt-10 -53.55 -35.64 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 468' ' ' LYS . . . . . 0.421 ' CD ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -106.05 9.11 32.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.406 ' CB ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -106.11 -18.66 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 470' ' ' ARG . . . . . 0.623 ' HG2' HD12 ' B' ' 466' ' ' LEU . 3.4 mtm-85 -51.06 153.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.883 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -162.91 -177.37 35.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.732 HG21 ' HD3' ' A' ' 65' ' ' ARG . 14.1 t -125.37 143.24 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.444 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 13.8 p90 -145.55 149.66 41.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.6 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.826 ' CB ' HD21 ' B' ' 452' ' ' LEU . 2.2 tt0 -69.74 -29.65 67.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.445 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -72.61 -4.48 31.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.927 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.53 1.79 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.927 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -128.93 -179.89 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -131.48 143.96 50.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.33 135.92 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' B' ' 414' ' ' VAL . 17.4 t -104.66 139.82 20.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 482' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 55' ' ' LEU . 2.6 mp -109.47 119.55 47.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.39 10.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.38 134.69 93.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.358 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 170.43 20.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.82 38.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.31 128.47 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -93.03 159.1 36.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.91 15.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -72.2 84.75 1.04 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' CD ' ' C ' ' B' ' 446' ' ' GLU . 2.6 mmp_? -79.06 82.78 5.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' HA ' ' CB ' ' B' ' 426' ' ' ASP . 0.9 OUTLIER -119.15 119.38 33.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.44 ' N ' ' OE2' ' B' ' 446' ' ' GLU . 30.8 p -38.76 98.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.579 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -71.05 -169.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.338 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 404' ' ' LEU . . . . . 0.436 ' H ' HD23 ' B' ' 404' ' ' LEU . 1.4 pt? -127.18 -44.63 1.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -116.63 154.77 29.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 160.02 55.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.95 135.16 18.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.1 Cg_endo -75.03 145.42 31.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.05 -18.63 30.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.82 150.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 411' ' ' MET . . . . . 0.446 ' SD ' HG12 ' B' ' 438' ' ' VAL . 11.3 mtt -108.28 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.555 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.1 p90 -159.04 -179.77 8.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.791 ' HE2' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -99.92 133.31 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.715 ' CG1' HG23 ' B' ' 438' ' ' VAL . 1.4 m -114.38 166.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.592 ' HB2' HG21 ' B' ' 481' ' ' VAL . 0.6 OUTLIER -132.33 124.94 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.849 ' HB2' HD23 ' B' ' 430' ' ' LEU . . . -70.57 147.78 48.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.506 ' OE1' HD21 ' A' ' 56' ' ' LEU . 3.7 mt-30 -119.02 -6.01 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.7 m-70 -141.64 169.08 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 9.7 p-10 -107.69 106.34 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.912 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.8 t80 -114.8 111.83 21.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -84.12 113.88 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.912 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -111.24 116.7 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 43.6 p -117.63 91.69 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.19 -173.51 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.5 t -94.46 14.1 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 426' ' ' ASP . . . . . 0.437 ' CB ' ' HA ' ' A' ' 66' ' ' ARG . 3.7 t70 179.29 60.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -125.06 170.94 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.726 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.69 113.5 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.498 ' O ' ' CD ' ' B' ' 456' ' ' LYS . 5.2 tt0 -80.44 132.87 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.911 HD21 HG21 ' B' ' 436' ' ' VAL . 0.3 OUTLIER -125.29 144.27 50.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.4 131.08 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.25 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.21 48.94 1.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.616 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.8 t0 -110.95 172.64 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.791 HG12 ' HE2' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -120.54 123.39 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.911 HG21 HD21 ' B' ' 430' ' ' LEU . 22.0 t -133.6 149.12 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.806 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -111.82 125.16 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.715 HG23 ' CG1' ' B' ' 414' ' ' VAL . 11.8 t -77.21 110.59 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.69 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 152.82 53.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -53.87 176.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.56 11.74 25.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 165.05 159.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.37 19.54 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.446 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 1.2 mt-10 -73.84 -20.13 60.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.463 ' C ' ' CD ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -86.89 -6.22 58.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 2.7 tt0 -99.3 144.55 28.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 12.1 t70 -116.11 159.0 22.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 108.19 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.526 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.82 0.31 59.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.599 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.7 OUTLIER -138.62 143.46 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -128.8 171.77 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.72 113.04 22.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.69 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -137.31 165.92 25.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.806 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.4 p -127.67 144.85 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.325 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.862 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.5 OUTLIER -80.86 162.89 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.639 ' HB3' HG23 ' B' ' 435' ' ' VAL . 5.5 tt0 -57.86 -39.1 76.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -46.74 77.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.556 ' HB2' HG22 ' B' ' 455' ' ' VAL . 7.2 m-20 -59.98 -32.7 71.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.68 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.8 t90 -51.8 -47.81 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -55.44 -26.79 44.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.44 16.62 13.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -45.83 -23.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.556 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 6.2 pttt -58.26 -31.19 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 43.15 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.33 -31.14 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.79 -22.58 47.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.63 7.38 14.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.84 -13.27 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 470' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 7.2 mtt180 -57.29 151.06 16.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.726 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -160.56 -178.19 34.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 5.2 t -125.79 143.2 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 9.5 p90 -149.8 150.06 29.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.597 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.93 119.82 5.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -68.96 -34.59 75.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.408 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.7 p30 -69.66 -6.26 30.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.713 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.2 OUTLIER -108.54 2.32 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.713 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -128.35 -179.8 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.458 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -131.83 150.66 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.435 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 7.3 mtm-85 -88.18 126.53 35.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 481' ' ' VAL . . . . . 0.592 HG21 ' HB2' ' B' ' 415' ' ' GLN . 22.0 t -105.06 138.52 19.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 55' ' ' LEU . 1.6 pt? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.965 HD12 ' NE2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -79.45 121.9 83.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.4 43.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.8 t -67.77 130.44 92.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.35 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.541 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 171.85 17.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.73 34.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 130.19 45.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.5 p -91.47 157.3 42.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.17 13.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.4 p -70.97 92.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.694 ' HD3' HG21 ' B' ' 472' ' ' VAL . 6.6 mtp180 -78.37 101.02 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -81.41 113.53 19.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -169.73 108.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.558 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -70.91 167.8 18.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.05 -27.56 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -114.62 152.9 31.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.25 159.9 36.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.98 134.53 17.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 141.16 26.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.55 -22.3 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 9.1 t80 -36.24 147.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 411' ' ' MET . . . . . 0.492 ' SD ' HG12 ' B' ' 438' ' ' VAL . 11.5 mtt -103.76 -73.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.561 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.4 p90 -158.22 179.4 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.721 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -96.47 140.3 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.963 HG22 ' O ' ' B' ' 436' ' ' VAL . 16.3 m -120.92 166.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.1 OUTLIER -134.71 127.38 30.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.631 ' HB3' ' H ' ' B' ' 434' ' ' ASP . . . -75.48 141.36 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.417 ' HB2' ' CD2' ' B' ' 418' ' ' HIS . 3.4 mt-30 -112.89 -6.4 13.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.965 ' NE2' HD12 ' A' ' 56' ' ' LEU . 19.9 m-70 -138.5 168.34 19.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.584 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 5.2 p-10 -109.34 105.87 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.92 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.6 t80 -116.36 124.08 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -92.46 116.71 29.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 0.92 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.26 116.48 30.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 34.4 p -118.24 91.2 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.403 ' H ' ' CG ' ' B' ' 427' ' ' GLU . 4.9 t0 -144.45 -173.96 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 425' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' B' ' 426' ' ' ASP . 9.5 t -94.81 13.94 23.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 426' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 425' ' ' THR . 13.3 m-20 -179.55 59.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -124.48 171.57 9.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.841 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -128.07 113.27 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.493 ' C ' HD22 ' B' ' 430' ' ' LEU . 4.9 tt0 -76.09 134.76 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.994 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -123.55 141.38 52.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.67 126.73 46.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.08 102.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.35 48.54 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.631 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.7 t0 -110.46 171.62 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.721 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -119.8 119.29 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.994 HG21 HD11 ' B' ' 430' ' ' LEU . 14.8 t -129.65 144.02 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.462 ' HG ' ' CG1' ' B' ' 455' ' ' VAL . 0.0 OUTLIER -106.12 133.39 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.559 HG23 ' CG1' ' B' ' 414' ' ' VAL . 48.9 t -86.28 110.25 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.726 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.78 153.69 48.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -59.96 -176.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -80.96 -18.68 46.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.35 151.3 1.61 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.44 19.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.69 -24.99 62.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.542 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -84.01 -28.51 27.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.492 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.5 tt0 -54.86 138.89 41.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.621 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.2 t70 -98.77 154.38 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.97 113.17 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.4 -3.34 63.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.621 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.5 157.09 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.609 HD11 ' OE1' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -142.59 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.34 113.82 23.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.726 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -141.22 169.17 25.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.956 HG22 ' HB2' ' B' ' 459' ' ' ASP . 2.3 p -129.97 146.47 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -78.87 163.16 25.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.596 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.6 tt0 -58.06 -43.24 86.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -39.39 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.956 ' HB2' HG22 ' B' ' 455' ' ' VAL . 29.4 m-20 -65.2 -32.43 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.558 ' CD1' ' HD2' ' B' ' 403' ' ' ARG . 3.7 t90 -52.56 -47.3 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -62.96 -24.73 68.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 36.8 mm-40 -86.84 17.73 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 463' ' ' HIS . . . . . 0.434 ' O ' HD23 ' B' ' 466' ' ' LEU . 0.0 OUTLIER -45.21 -24.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.598 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.99 -30.68 66.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -139.72 52.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.434 HD23 ' O ' ' B' ' 463' ' ' HIS . 2.7 pp -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.95 -18.81 59.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -114.46 6.36 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.66 -15.22 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -56.81 152.78 11.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.841 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -167.01 -179.62 40.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.694 HG21 ' HD3' ' A' ' 65' ' ' ARG . 37.3 t -121.55 143.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.737 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.461 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.1 p90 -146.76 148.69 34.03 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.8 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.609 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.1 tt0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.445 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.15 -4.94 32.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.893 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.66 2.22 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.893 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -127.33 175.97 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -128.86 151.3 49.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.446 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.1 mtm180 -89.78 131.01 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.02 115.81 62.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 56' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.94 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -80.24 121.43 81.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 150.2 37.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.4 t -68.93 133.02 90.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 171.16 18.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.73 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.78 130.45 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.435 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 79.4 p -90.83 157.11 44.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 173.2 14.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -71.9 88.6 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.548 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 14.1 mtp180 -78.47 99.92 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.17 104.3 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -142.8 77.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 402' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' B' ' 403' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.488 ' HD2' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -37.34 143.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.14 -13.08 36.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.458 ' HB2' ' NE ' ' B' ' 403' ' ' ARG . 6.4 m-20 -103.11 151.18 22.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.35 159.42 29.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.99 134.21 17.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.556 1.819 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 143.8 29.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.41 -21.17 22.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' B' ' 409' ' ' GLY . 8.1 t80 -35.83 146.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -105.57 -72.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.42 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 19.6 p90 -153.4 -179.99 8.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.779 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -103.47 135.83 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.8 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.7 m -119.44 168.25 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 415' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -133.7 131.19 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.991 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -75.53 144.7 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.12 -0.89 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.1 m-70 -144.79 170.07 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 7.9 p-10 -112.08 103.13 11.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 1.036 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.1 t80 -116.34 116.92 28.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -82.25 113.03 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -113.19 116.85 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.9 p -119.47 94.23 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.506 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.6 t0 -142.16 -174.97 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.5 t -89.22 -0.94 57.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.17 32.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.506 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -91.84 170.56 9.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.715 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -132.37 113.27 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.606 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -76.25 135.82 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 0.991 HD12 ' HB2' ' B' ' 416' ' ' ALA . 2.7 mm? -125.74 146.62 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.21 126.13 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.17 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.02 50.55 1.24 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.549 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.7 t0 -112.91 172.61 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.779 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -120.6 120.88 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 0.915 HG22 ' HG3' ' B' ' 456' ' ' LYS . 39.5 t -131.53 137.52 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.895 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -103.25 123.65 47.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' B' ' 414' ' ' VAL . 15.9 t -74.26 110.44 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.791 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.74 153.16 46.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 440' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.81 4.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.809 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -60.04 -172.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -85.77 -26.06 26.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.46 148.0 8.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.18 17.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -27.39 66.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.548 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 7.3 mm-40 -81.11 -27.94 35.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 447' ' ' GLN . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 65' ' ' ARG . 3.9 tt0 -53.75 143.7 20.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.559 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.5 t0 -103.57 155.35 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.64 111.72 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.52 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.47 -2.17 60.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.807 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -137.18 154.72 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.807 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -142.34 172.17 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.99 113.61 22.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.791 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.87 172.02 22.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.895 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.7 p -135.41 139.09 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 456' ' ' LYS . . . . . 0.915 ' HG3' HG22 ' B' ' 436' ' ' VAL . 1.1 mtpm? -75.46 162.1 28.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.617 ' HB3' HG23 ' B' ' 435' ' ' VAL . 4.4 tt0 -59.83 -40.33 88.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -37.64 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.552 ' HB2' HG22 ' B' ' 455' ' ' VAL . 45.6 m-20 -68.63 -33.1 73.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.733 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.3 t90 -51.87 -49.57 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -54.61 -26.35 32.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.467 ' C ' ' N ' ' B' ' 464' ' ' LYS . 1.6 mp0 -104.55 19.72 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 463' ' ' HIS . . . . . 0.488 ' CD2' ' HD2' ' B' ' 403' ' ' ARG . 0.2 OUTLIER -45.43 -22.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.467 ' N ' ' C ' ' B' ' 462' ' ' GLN . 3.5 tttt -57.44 -30.78 65.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -126.26 45.13 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.53 -36.98 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.46 -17.13 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -115.11 3.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.507 ' HG ' ' CG ' ' B' ' 459' ' ' ASP . 0.5 OUTLIER -114.97 -19.21 11.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 470' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.9 mtm180 -52.46 152.3 3.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.715 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -166.17 179.75 40.08 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 71.9 t -121.33 142.59 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.464 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 11.7 p90 -147.01 149.39 35.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.588 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.503 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.2 tt0 -68.83 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 476' ' ' ASN . . . . . 0.417 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -71.27 -5.64 33.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.787 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.3 1.91 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.787 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.63 179.47 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 479' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 415' ' ' GLN . 2.3 tt0 -129.59 145.57 51.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.09 131.23 34.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.14 118.48 52.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -78.65 120.28 80.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.42 13.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 m -68.21 135.5 91.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.445 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.58 22.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.473 1.775 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 162.04 37.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 128.05 35.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 65' ' ' ARG . 77.9 p -93.88 156.8 38.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.58 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.03 -179.05 4.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.87 106.82 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.826 ' NH1' HG11 ' B' ' 472' ' ' VAL . 0.2 OUTLIER -95.49 79.84 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -86.91 120.27 28.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' GLY . 65.4 m -104.69 127.32 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' SER . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.468 ' N ' ' NE ' ' B' ' 403' ' ' ARG . 0.0 OUTLIER -68.49 -170.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.67 -41.6 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -112.86 155.04 25.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.92 160.0 44.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 133.79 17.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -75.01 144.54 30.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.28 -22.09 17.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 410' ' ' PHE . . . . . 0.489 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 17.3 t80 -35.91 150.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.773 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.2 mtt -110.64 -71.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.489 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.1 p90 -157.2 179.7 9.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 413' ' ' LYS . . . . . 0.68 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -102.54 137.85 40.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 414' ' ' VAL . . . . . 0.747 ' CG1' HG23 ' B' ' 438' ' ' VAL . 0.9 OUTLIER -116.87 167.2 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.87 118.9 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 416' ' ' ALA . . . . . 0.721 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.5 149.79 49.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -119.73 -0.21 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.502 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.6 m-70 -145.85 170.22 16.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.16 . . . . 0.0 109.61 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 419' ' ' ASP . . . . . 0.447 ' OD2' ' HB2' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -111.25 103.27 11.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 1.034 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.4 t80 -116.19 109.62 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.9 113.91 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 422' ' ' ALA . . . . . 1.034 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.58 117.35 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 40.7 p -119.7 94.87 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 424' ' ' ASP . . . . . 0.496 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t70 -140.86 -175.42 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.3 t -82.8 -9.67 59.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -161.86 44.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.496 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.6 OUTLIER -95.57 170.26 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 3.9 tp -126.87 113.1 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 429' ' ' GLN . . . . . 0.68 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.8 tt0 -77.66 136.99 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 430' ' ' LEU . . . . . 1.094 HD11 HG21 ' B' ' 436' ' ' VAL . 4.4 mm? -129.18 141.92 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.8 132.09 53.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 432' ' ' ALA . . . . . 0.447 ' HB2' ' OD2' ' B' ' 419' ' ' ASP . . . -38.27 97.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.95 45.97 1.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 434' ' ' ASP . . . . . 0.673 ' OD2' HD13 ' B' ' 430' ' ' LEU . 18.9 t70 -108.78 169.52 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.68 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -118.53 121.33 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 436' ' ' VAL . . . . . 1.094 HG21 HD11 ' B' ' 430' ' ' LEU . 3.2 t -130.45 139.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 437' ' ' LEU . . . . . 0.902 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -101.19 133.68 45.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 438' ' ' VAL . . . . . 0.747 HG23 ' CG1' ' B' ' 414' ' ' VAL . 49.7 t -86.9 110.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.99 153.94 48.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 441' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.82 -179.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.403 ' O ' ' OD1' ' B' ' 443' ' ' ASN . 0.0 OUTLIER -83.6 -24.99 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 443' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' B' ' 442' ' ' GLN . 2.3 m120 -162.91 154.58 15.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -17.61 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -23.92 61.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 446' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 5.9 mt-10 -84.08 -19.63 33.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.356 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.67 151.95 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.305 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 448' ' ' ASP . . . . . 0.486 ' CB ' HH11 ' A' ' 65' ' ' ARG . 30.5 t70 -122.93 149.44 44.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 449' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 5.1 pt-20 -68.88 117.84 11.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 450' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 94.64 -4.15 68.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 451' ' ' TRP . . . . . 0.673 ' O ' HD23 ' B' ' 452' ' ' LEU . 1.3 m95 -136.59 161.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.673 HD23 ' O ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -149.43 169.87 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 453' ' ' MET . . . . . 0.536 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.22 113.0 21.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -137.25 178.08 19.29 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 455' ' ' VAL . . . . . 0.902 HG13 ' HG ' ' B' ' 437' ' ' LEU . 3.9 p -138.44 145.48 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -79.74 159.74 26.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 457' ' ' GLU . . . . . 0.616 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.0 tt0 -57.91 -44.39 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -36.74 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 459' ' ' ASP . . . . . 0.485 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 71.8 m-20 -68.1 -33.22 74.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 460' ' ' TRP . . . . . 0.45 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.1 t90 -52.52 -47.33 66.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -59.82 -26.61 65.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 462' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.4 OUTLIER -93.24 17.22 11.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -45.34 -24.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' B' ' 462' ' ' GLN . 4.2 pttt -57.96 -30.6 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.96 39.37 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.445 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -57.4 -30.54 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.27 -18.92 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 9.04 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 469' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -108.13 -21.66 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.336 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 470' ' ' ARG . . . . . 0.404 HH12 HD21 ' B' ' 466' ' ' LEU . 0.2 OUTLIER -50.53 127.15 17.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 471' ' ' GLY . . . . . 0.536 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -150.55 -177.57 24.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.478 1.112 . . . . 0.0 111.009 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 472' ' ' VAL . . . . . 0.826 HG11 ' NH1' ' A' ' 65' ' ' ARG . 39.9 t -118.48 149.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 473' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' B' ' 438' ' ' VAL . 27.4 p90 -150.84 145.54 18.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 474' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 112.54 3.58 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 475' ' ' GLU . . . . . 0.553 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.3 tt0 -68.32 -28.51 67.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.85 -6.57 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -113.5 2.2 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.7 OUTLIER -128.04 177.16 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.07 146.69 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 480' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 0.3 OUTLIER -84.27 137.4 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.73 118.48 48.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.882 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.6 38.58 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 129.18 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.9 p -92.79 158.07 38.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.1 Cg_endo -75.05 133.42 16.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.06 143.26 28.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.83 -22.59 20.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.97 146.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.8 mtt -106.94 -71.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 23.8 p90 -156.59 -179.41 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.511 ' HZ3' HG11 ' B' ' 481' ' ' VAL . 0.2 OUTLIER -102.53 146.61 27.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.589 ' HA ' HG23 ' B' ' 481' ' ' VAL . 2.2 m -129.42 167.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 1.3 tp60 -134.39 130.89 37.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.625 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -75.22 155.5 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.427 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 9.6 mt-30 -125.59 1.15 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.0 m-70 -144.93 170.02 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 11.5 p-10 -111.75 101.37 9.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.869 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.69 107.35 14.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.6 m -75.72 113.79 13.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.869 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.49 117.52 32.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -118.27 94.92 4.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 3.5 t0 -142.29 -174.81 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.0 t -86.66 -5.07 59.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.74 37.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.493 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.7 mm-40 -92.71 168.86 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.59 HD23 ' CA ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -125.97 113.92 17.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.773 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.9 tt0 -79.45 133.52 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.964 HD11 HG21 ' B' ' 436' ' ' VAL . 3.4 mm? -125.31 143.43 50.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -128.21 124.35 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.506 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -31.69 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 97.02 52.05 1.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.518 ' OD2' ' CD ' ' B' ' 456' ' ' LYS . 5.9 t70 -113.3 169.89 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.634 HG23 ' CB ' ' B' ' 457' ' ' GLU . 6.7 m -120.28 126.43 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.964 HG21 HD11 ' B' ' 430' ' ' LEU . 78.9 t -136.54 150.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.635 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.74 128.63 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.488 HG23 ' CG1' ' B' ' 414' ' ' VAL . 18.7 t -79.01 120.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.705 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -125.05 154.4 71.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . 0.403 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 115.78 4.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.3 t70 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . 0.541 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 6.9 pt-20 -74.74 111.14 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -5.72 64.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.615 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.6 OUTLIER -134.53 145.93 49.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -129.45 171.98 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.36 112.82 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.705 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.67 165.71 24.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.5 p -127.38 143.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.4 mtmp? -79.14 161.24 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.634 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.2 tt0 -57.8 -41.37 82.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.18 98.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.876 ' HB2' HG22 ' B' ' 455' ' ' VAL . 71.1 m-20 -62.06 -33.2 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.635 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.8 t90 -52.45 -47.7 66.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -58.06 -26.28 62.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.417 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.16 17.86 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -24.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' B' ' 462' ' ' GLN . 9.9 mmtt -58.33 -30.89 67.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -134.16 41.98 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.64 -31.48 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -60.21 -19.38 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.18 7.48 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 -10.23 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -62.45 155.06 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.59 ' CA ' HD23 ' B' ' 428' ' ' LEU . . . -167.13 -179.52 40.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 18.5 t -121.93 144.52 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.765 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.4 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 10.6 p90 -148.04 150.06 34.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.606 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.04 117.27 4.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.8 tt0 -69.41 -28.72 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.2 -5.73 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -110.53 0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.3 p -127.34 176.94 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . 0.427 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 3.4 tt0 -129.5 143.33 50.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 4.2 mtt180 -79.58 141.74 36.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' B' ' 414' ' ' VAL . 21.7 t -119.71 119.57 31.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.943 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.98 37.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.0 128.89 39.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.2 p -92.13 157.59 40.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.542 1.811 . . . . 0.0 111.016 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.96 134.18 17.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.428 1.752 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.5 Cg_endo -74.98 143.04 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.74 -23.25 17.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.9 t80 -36.14 146.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.9 mtt -106.79 -71.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 23.8 p90 -156.79 179.95 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.611 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.4 OUTLIER -98.39 146.56 25.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.694 ' CG1' HG23 ' B' ' 438' ' ' VAL . 10.5 m -124.69 166.36 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 23.8 tp60 -134.41 119.62 18.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.636 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.53 149.45 50.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -121.56 -0.06 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.584 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 80.1 m-70 -147.65 168.94 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -109.1 105.27 14.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.828 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.8 t80 -115.87 109.5 17.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -77.36 112.98 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.828 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.93 117.91 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.7 p -118.35 93.96 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 7.4 t0 -141.9 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -89.09 2.49 54.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -168.56 35.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.34 170.81 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.503 HD23 HD21 ' B' ' 430' ' ' LEU . 5.7 tp -129.12 114.17 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.429 ' C ' HD22 ' B' ' 430' ' ' LEU . 4.1 tt0 -80.96 131.03 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.84 HD11 HG21 ' B' ' 436' ' ' VAL . 4.2 mm? -121.89 140.24 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.9 128.8 51.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.34 102.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.57 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 8.5 t0 -109.87 167.56 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.622 HG23 ' CB ' ' B' ' 457' ' ' GLU . 4.8 m -119.08 119.9 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.84 HG21 HD11 ' B' ' 430' ' ' LEU . 20.7 t -129.32 149.96 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.658 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -110.04 124.94 52.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.694 HG23 ' CG1' ' B' ' 414' ' ' VAL . 43.8 t -77.18 113.98 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.726 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 153.88 54.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.2 t0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.3 OUTLIER -74.22 111.07 9.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.1 -4.13 62.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.685 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.85 149.66 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.685 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -135.88 172.36 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.45 112.49 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.039 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.726 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.12 175.4 20.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.586 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.1 p -138.02 143.58 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.485 ' CG ' HG22 ' B' ' 436' ' ' VAL . 2.9 mtmp? -79.05 160.05 27.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.622 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.7 tt0 -58.36 -42.78 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -41.75 94.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.469 ' HB3' ' CG2' ' B' ' 455' ' ' VAL . 11.3 m-20 -64.37 -31.91 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.658 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.8 t90 -51.23 -47.54 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . 0.401 ' HB2' ' NE2' ' B' ' 462' ' ' GLN . 41.2 m-80 -54.21 -25.95 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.447 ' C ' ' N ' ' B' ' 464' ' ' LYS . 35.7 mm-40 -93.22 17.36 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' B' ' 460' ' ' TRP . 8.8 t60 -45.45 -22.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.9 OUTLIER -57.72 -30.17 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.07 45.83 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.2 OUTLIER -54.32 -32.65 57.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . 0.412 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 5.4 mt-10 -62.06 -17.38 57.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 6.26 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.401 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -114.84 -9.02 12.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 4.1 mtm180 -59.42 149.54 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.1 171.97 36.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 37.9 t -119.77 142.88 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -149.58 151.95 34.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.595 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.8 tt0 -68.93 -29.23 67.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.77 -5.91 37.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.942 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.3 3.41 18.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.942 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.4 p -130.26 -179.33 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 149.8 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -88.44 140.67 29.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 49.0 t -116.83 127.52 26.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.458 1.768 . . . . 0.0 111.022 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.416 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.05 36.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 130.0 44.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 93.2 p -91.12 156.96 43.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.0 133.45 16.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.04 142.88 28.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.63 -22.95 18.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.484 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.47 149.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 0.797 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.8 mtt -110.74 -71.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.484 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 21.1 p90 -158.56 -179.87 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.617 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -99.93 145.42 27.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 436' ' ' VAL . 9.6 m -123.92 166.63 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 19.5 tp60 -133.49 119.69 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.58 150.94 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -121.87 -0.51 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.581 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.9 m-70 -145.97 169.43 18.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 8.0 p-10 -110.29 102.77 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.845 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.4 t80 -113.61 106.46 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 6.4 m -76.1 113.57 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.387 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.845 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -112.76 118.33 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 58.6 p -117.91 94.79 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.46 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.41 -175.22 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 15.3 t -86.35 0.88 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -171.55 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.1 mm-40 -91.94 169.5 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.492 HD13 ' HA3' ' B' ' 471' ' ' GLY . 6.4 tp -124.11 113.55 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.602 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.3 tt0 -82.39 132.53 35.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.887 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -125.02 138.72 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.0 128.5 52.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.01 101.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.39 47.89 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.491 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 29.4 t0 -111.86 169.18 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' B' ' 457' ' ' GLU . 1.3 m -118.92 126.06 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.887 HG21 HD11 ' B' ' 430' ' ' LEU . 25.1 t -134.95 146.54 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.649 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -107.08 127.28 53.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.591 HG23 ' CG1' ' B' ' 414' ' ' VAL . 42.7 t -79.72 110.54 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.714 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.31 154.14 48.78 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 116.19 4.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.619 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 9.4 t0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 5.4 pt-20 -71.53 113.7 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.0 -4.28 62.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.668 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -135.46 152.39 51.32 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.668 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -137.86 170.9 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.14 113.01 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.714 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.46 168.44 23.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.858 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.9 p -130.99 144.94 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CE ' ' O ' ' B' ' 429' ' ' GLN . 0.1 OUTLIER -78.04 159.53 28.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.63 ' HB3' HG23 ' B' ' 435' ' ' VAL . 3.5 tt0 -58.04 -37.74 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.96 96.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.858 ' HB2' HG22 ' B' ' 455' ' ' VAL . 20.9 m-20 -61.09 -33.34 73.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.649 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.14 -47.23 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.051 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -56.07 -26.2 48.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.6 OUTLIER -98.81 17.01 20.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -45.78 -23.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.7 tttp -57.97 -30.88 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -131.62 46.19 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.73 -30.44 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.11 -17.8 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -115.65 7.48 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 16.4 m -109.76 -23.64 11.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.256 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -50.83 130.83 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -145.81 -177.85 20.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 9.4 t -128.05 143.01 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -151.34 152.24 30.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.594 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 117.77 5.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.546 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.2 tt0 -69.75 -30.8 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.16 -6.36 38.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.929 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -109.4 1.74 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.929 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.33 179.44 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -131.69 146.58 52.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 134.36 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' B' ' 482' ' ' PRO . 57.6 t -106.05 137.47 19.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 481' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.33 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 129.29 41.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -92.09 158.12 39.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.01 133.72 16.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 144.68 30.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.12 -22.17 16.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.39 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . 0.444 ' CE ' HG12 ' B' ' 438' ' ' VAL . 10.2 mtt -107.97 -71.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' B' ' 438' ' ' VAL . 18.6 p90 -159.48 179.76 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.504 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -100.2 143.81 29.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.669 HG13 HG23 ' B' ' 438' ' ' VAL . 4.3 m -122.72 167.1 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 20.0 tp60 -133.35 118.66 18.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.61 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.36 148.45 51.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -119.31 -1.54 10.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.599 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 72.6 m-70 -143.92 169.34 17.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 0.0 OUTLIER -110.5 101.99 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.959 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.5 t80 -115.57 113.6 23.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 7.7 m -80.3 113.57 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.959 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.51 116.46 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 26.6 p -120.16 93.53 4.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.504 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.5 t0 -142.33 -175.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . 0.407 ' O ' ' OD1' ' B' ' 426' ' ' ASP . 9.9 t -78.94 -14.94 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 425' ' ' THR . 1.0 OUTLIER -153.69 39.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.653 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -91.68 163.27 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.433 HD13 ' HA3' ' B' ' 471' ' ' GLY . 5.9 tp -125.98 113.01 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.692 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.3 tt0 -76.24 137.09 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 1.013 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -129.95 141.88 50.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -123.83 132.23 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -39.02 97.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.22 45.84 1.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.676 ' OD2' HD13 ' B' ' 430' ' ' LEU . 20.2 t70 -108.16 169.45 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' B' ' 457' ' ' GLU . 2.7 m -118.56 128.02 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 1.013 HG21 HD11 ' B' ' 430' ' ' LEU . 54.5 t -137.0 149.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.791 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -112.18 127.5 55.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.686 HG21 ' CE1' ' B' ' 412' ' ' PHE . 28.2 t -78.85 115.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.725 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -122.13 153.67 61.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . 0.407 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.12 4.49 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.614 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.0 t0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.41 113.33 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -3.25 62.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.614 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.0 OUTLIER -136.14 151.61 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.597 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -139.29 170.65 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.22 113.19 22.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.725 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.15 174.98 20.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.791 HG13 ' HG ' ' B' ' 437' ' ' LEU . 11.6 p -136.53 143.55 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.421 ' CG ' HG22 ' B' ' 436' ' ' VAL . 0.5 OUTLIER -80.24 160.61 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' B' ' 435' ' ' VAL . 5.1 tt0 -57.9 -41.64 83.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -35.53 80.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.746 ' HB2' HG22 ' B' ' 455' ' ' VAL . 87.1 m-20 -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.723 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -51.94 -47.83 64.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.19 -26.07 36.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.95 16.72 13.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -45.75 -23.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' B' ' 462' ' ' GLN . 13.6 pttt -58.15 -29.8 65.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -133.16 43.46 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -55.1 -31.7 61.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.15 -21.26 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.15 7.45 15.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 -23.12 11.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 2.3 mtt180 -50.62 151.0 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.433 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -160.45 -179.72 35.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 51.7 t -123.6 142.99 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -151.09 152.19 30.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.614 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 115.58 4.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.48 ' CD ' HD11 ' B' ' 452' ' ' LEU . 1.1 tt0 -68.98 -31.58 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.2 OUTLIER -69.01 -8.03 41.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.911 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -108.23 1.31 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 111.014 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.911 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -127.25 174.84 8.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.74 147.12 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -85.74 136.23 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' B' ' 482' ' ' PRO . 23.0 t -107.18 140.35 21.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . 0.454 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.94 38.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.76 130.38 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 p -92.13 158.19 39.7 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.011 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.407 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.0 134.83 18.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 143.13 28.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.02 -22.48 22.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.09 146.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -105.72 -71.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.515 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 15.8 p90 -160.28 179.55 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.5 145.17 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.613 ' CG1' HG23 ' B' ' 438' ' ' VAL . 2.9 m -125.42 166.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -133.9 121.53 21.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.612 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -68.88 151.95 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -121.07 -0.63 9.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 81.6 m-70 -145.58 169.86 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.667 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.28 103.61 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.84 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.1 t80 -115.3 109.62 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 8.4 m -78.3 113.17 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.84 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.6 117.23 31.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.0 p -119.6 93.02 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t0 -141.83 -175.14 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 3.6 t -81.66 -11.33 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.93 39.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.59 ' CG ' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -91.84 161.77 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.489 HD22 ' O ' ' B' ' 454' ' ' GLY . 12.4 tp -122.61 113.1 18.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.551 ' C ' HD22 ' B' ' 430' ' ' LEU . 2.3 tt0 -78.37 137.06 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 1.007 HD11 HG21 ' B' ' 436' ' ' VAL . 3.7 mm? -130.37 143.81 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.38 132.74 53.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -38.94 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.29 48.77 1.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.528 ' OD2' HD13 ' B' ' 430' ' ' LEU . 30.0 t70 -111.63 169.4 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.597 HG23 ' CB ' ' B' ' 457' ' ' GLU . 9.2 m -117.04 128.33 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 1.007 HG21 HD11 ' B' ' 430' ' ' LEU . 19.6 t -138.11 148.76 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.854 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -108.78 132.82 53.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' B' ' 414' ' ' VAL . 37.1 t -86.25 110.68 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.73 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -115.88 153.75 48.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 6.6 t0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.76 112.3 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.04 63.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.886 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.45 150.85 50.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.886 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -139.08 172.17 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.79 113.47 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.73 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.03 174.37 21.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.854 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.9 p -136.66 146.05 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.422 ' CG ' HG22 ' B' ' 436' ' ' VAL . 0.9 OUTLIER -81.8 160.88 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.597 ' CB ' HG23 ' B' ' 435' ' ' VAL . 4.4 tt0 -58.25 -42.15 85.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -44.36 97.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.9 -33.17 73.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.475 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.6 t90 -52.97 -47.8 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -54.77 -26.03 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' B' ' 464' ' ' LYS . 63.8 mm-40 -91.82 17.94 8.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . 0.548 ' O ' HD23 ' B' ' 466' ' ' LEU . 3.1 t60 -45.05 -24.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.45 -30.45 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.76 49.21 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 463' ' ' HIS . 1.1 pp -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.83 -17.08 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.43 7.66 15.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.43 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.5 OUTLIER -108.93 -23.81 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -50.34 142.46 10.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.98 178.83 35.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 29.2 t -124.69 142.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -149.05 152.54 36.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.795 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.5 tt0 -68.28 -27.62 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -72.8 -6.85 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.874 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -109.96 2.38 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.874 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -127.23 177.23 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.4 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.28 143.71 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -82.69 134.25 35.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.5 HG23 ' HA ' ' B' ' 414' ' ' VAL . 39.9 t -103.95 115.92 62.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.74 38.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 128.78 38.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 p -93.61 158.64 36.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -75.04 135.17 18.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.97 137.1 21.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.91 -22.54 21.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.1 t80 -36.5 147.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . 0.455 ' CE ' ' CG1' ' B' ' 438' ' ' VAL . 7.2 mtt -104.55 -70.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 16.1 p90 -159.05 174.7 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.43 ' HZ3' ' HB3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -95.14 141.26 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.847 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.2 m -123.86 165.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -134.12 121.45 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.11 150.88 48.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.51 -0.83 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.614 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.4 m-70 -142.93 168.88 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -110.3 103.0 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.815 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.8 t80 -115.81 110.32 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -82.02 114.43 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.815 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -109.52 117.38 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 60.7 p -116.94 92.68 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.57 -174.56 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.7 t -91.82 7.36 42.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -177.64 59.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.463 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.4 OUTLIER -119.02 171.37 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.412 HD13 ' HA3' ' B' ' 471' ' ' GLY . 7.0 tp -122.79 113.53 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.744 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.0 tt0 -80.64 134.9 35.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.929 HD11 HG21 ' B' ' 436' ' ' VAL . 3.5 mm? -126.22 138.62 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -122.64 124.71 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -33.76 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.2 46.9 1.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.51 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.8 t0 -109.91 169.08 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.583 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.1 OUTLIER -119.08 115.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.929 HG21 HD11 ' B' ' 430' ' ' LEU . 10.1 t -127.72 143.02 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.951 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.1 OUTLIER -107.99 132.96 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.455 ' CG1' ' CE ' ' B' ' 411' ' ' MET . 4.3 t -83.01 112.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.767 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.54 151.19 49.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.503 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 23.5 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.71 111.55 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.06 -3.92 62.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.601 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.9 OUTLIER -135.77 143.36 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.43 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -129.16 171.28 12.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.767 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -133.73 176.57 19.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.951 HG13 ' HG ' ' B' ' 437' ' ' LEU . 4.1 p -138.22 144.94 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -78.06 162.72 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.0 tt0 -59.56 -45.26 92.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -43.34 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.502 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 59.7 m-20 -59.74 -32.03 70.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.681 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.6 t90 -52.47 -46.99 66.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.43 -24.57 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.476 ' NE2' ' N ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -84.3 17.91 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -23.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.1 OUTLIER -57.02 -30.28 64.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 49.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.438 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -61.4 -31.09 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.89 -29.08 59.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 8.42 39.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -102.66 -22.53 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -50.87 137.61 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.412 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -156.97 179.22 32.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 10.1 t -122.45 143.33 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.442 ' HZ ' HG22 ' B' ' 438' ' ' VAL . 16.9 p90 -148.54 148.48 28.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.601 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.36 -29.26 67.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.54 -6.17 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.886 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.51 1.15 15.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.886 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.95 171.72 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -125.91 144.55 50.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.1 OUTLIER -82.8 136.68 34.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' B' ' 414' ' ' VAL . 28.0 t -112.04 117.6 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.959 -0.439 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.89 37.88 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 129.37 41.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 p -92.56 158.03 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -75.01 134.05 17.33 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -74.99 145.31 31.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.87 -21.02 21.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.495 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 20.0 t80 -36.87 151.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.27 -70.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 20.0 p90 -158.12 -179.93 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.659 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -101.92 144.09 30.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.809 HG22 ' O ' ' B' ' 436' ' ' VAL . 10.1 m -122.78 165.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 13.8 tp60 -133.2 119.1 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.618 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.53 142.79 57.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -114.35 -1.26 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.611 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 44.3 m-70 -144.65 170.41 16.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 9.3 p-10 -111.07 105.72 14.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.97 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.5 t80 -115.76 124.44 50.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -88.15 114.2 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.97 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.5 116.39 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -119.46 93.15 3.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.453 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 5.5 t0 -142.9 -175.2 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -89.76 0.15 57.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -164.22 32.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.483 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.8 mm-40 -91.03 167.56 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.847 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -128.08 113.59 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.582 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.0 tt0 -77.59 139.66 39.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 1.036 HD11 HG21 ' B' ' 436' ' ' VAL . 4.1 mm? -129.73 143.06 50.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.529 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.58 125.23 39.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.15 108.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.63 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.605 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 5.0 t0 -104.79 165.55 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.659 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -119.68 115.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 1.036 HG21 HD11 ' B' ' 430' ' ' LEU . 53.5 t -125.92 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.644 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -105.62 131.92 52.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.525 HG23 HG13 ' B' ' 414' ' ' VAL . 52.9 t -83.6 110.85 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.695 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.03 153.37 52.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.475 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 34.6 t70 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.71 117.42 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.12 -5.3 68.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.702 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -135.93 156.99 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.702 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -145.91 171.73 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . 0.624 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.21 112.66 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.695 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.32 165.64 25.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.925 HG22 ' HB2' ' B' ' 459' ' ' ASP . 2.2 p -126.39 145.27 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 109.246 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.47 ' CG ' HG22 ' B' ' 436' ' ' VAL . 2.1 mtmp? -78.61 162.64 26.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.597 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.3 tt0 -58.19 -42.56 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -35.59 80.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.925 ' HB2' HG22 ' B' ' 455' ' ' VAL . 23.8 m-20 -66.29 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.644 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.5 -47.89 66.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.2 17.75 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . 0.518 ' O ' HD23 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -45.4 -23.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 16.6 mtmt -58.28 -30.76 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -138.63 51.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.518 HD23 ' O ' ' B' ' 463' ' ' HIS . 1.7 pp -62.44 -30.55 71.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.4 -34.31 61.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 7.78 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.69 -18.36 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 2.3 mtt180 -58.39 151.6 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.847 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -165.44 -178.61 38.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 71.0 t -118.94 143.13 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.463 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 15.8 p90 -146.4 149.68 38.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.579 ' HB3' HD21 ' B' ' 452' ' ' LEU . 2.6 tt0 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.7 OUTLIER -73.05 -4.98 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.924 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.18 4.26 15.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.924 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.15 174.33 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -125.5 144.32 50.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.552 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 3.7 mtt180 -82.28 131.63 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' B' ' 415' ' ' GLN . 49.0 t -113.97 131.63 23.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.462 1.77 . . . . 0.0 110.983 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.53 38.59 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.53 129.69 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.8 p -92.83 158.92 37.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.416 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -74.96 135.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.34 20.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . . . . . . . . . . . 91.22 -22.01 31.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.3 t80 -36.88 147.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.76 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.75 -68.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.692 ' CZ ' HG21 ' B' ' 438' ' ' VAL . 19.7 p90 -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.484 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -104.24 147.12 27.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.626 ' CG1' HG23 ' B' ' 438' ' ' VAL . 1.4 m -131.38 167.68 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.9 OUTLIER -133.33 129.74 37.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.735 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -73.46 143.39 46.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -113.1 -2.77 14.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 78.4 m-70 -143.6 170.12 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.654 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -111.0 102.36 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 1.012 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.6 t80 -115.55 115.25 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -81.5 114.0 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 1.012 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.88 116.07 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -120.17 93.3 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.65 -175.19 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -79.66 -12.71 59.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -156.06 41.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.72 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.3 OUTLIER -94.3 162.86 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.864 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.48 112.64 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.536 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -76.22 136.81 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.943 HD11 ' CG2' ' B' ' 436' ' ' VAL . 3.3 mm? -128.68 147.65 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.459 ' CD ' ' OD1' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -127.9 130.34 48.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.03 98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.38 49.74 1.52 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.529 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 3.0 t70 -109.74 173.0 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.7 OUTLIER -120.78 125.75 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.943 ' CG2' HD11 ' B' ' 430' ' ' LEU . 20.1 t -135.56 148.54 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.601 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.7 122.45 47.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.692 HG21 ' CZ ' ' B' ' 412' ' ' PHE . 43.7 t -72.87 111.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.783 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.15 153.58 55.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.18 4.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 29.3 t70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.25 114.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.34 64.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.657 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -135.1 160.27 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.657 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -147.88 170.95 16.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . 0.551 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -86.84 112.83 22.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.783 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.65 165.47 24.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.727 HG12 HD12 ' B' ' 439' ' ' ILE . 7.3 p -125.62 143.5 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.738 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.1 OUTLIER -80.93 161.97 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.3 tt0 -58.44 -39.39 79.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -45.44 91.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 76.8 m-20 -59.73 -31.61 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.601 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.07 -48.01 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -67.29 -24.02 65.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' B' ' 464' ' ' LYS . 69.1 mm-40 -82.73 17.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.322 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.05 -23.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.9 tttt -56.59 -30.05 62.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.68 52.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.453 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.4 OUTLIER -61.33 -31.67 71.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.74 -17.78 25.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 8.07 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -104.01 -29.33 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -50.93 142.58 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.864 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -158.84 -177.22 31.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 40.0 t -121.3 142.92 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.7 p90 -147.88 149.61 33.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.605 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 115.47 4.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.514 ' CB ' HD21 ' B' ' 452' ' ' LEU . 1.5 tt0 -68.5 -30.09 68.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -6.15 39.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.8 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.1 OUTLIER -111.26 2.22 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.8 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.1 p -127.0 177.21 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -129.92 140.48 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.46 ' HD2' ' CE2' ' B' ' 412' ' ' PHE . 14.6 mtm-85 -80.19 136.83 36.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' B' ' 414' ' ' VAL . 59.6 t -105.19 116.32 60.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.32 37.25 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 130.73 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 p -90.99 158.63 41.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -74.97 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.01 140.63 25.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.812 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 91.05 -22.57 28.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 18.9 t80 -35.97 152.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.3 mtt -112.47 -69.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.4 p90 -160.35 174.22 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.558 ' HG2' HD22 ' B' ' 437' ' ' LEU . 0.0 OUTLIER -96.83 135.59 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.857 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.5 m -121.07 167.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.5 OUTLIER -135.11 134.96 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.852 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -78.62 155.21 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 12.3 mt-30 -121.98 -0.25 9.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.591 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 70.8 m-70 -144.67 169.42 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -108.36 105.26 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.895 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.52 111.67 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -77.89 113.55 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.895 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.29 117.07 31.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 66.7 p -118.91 93.93 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.8 t0 -141.46 -174.93 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 10.2 t -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -164.7 40.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 1.7 mm-40 -93.38 170.39 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.647 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -127.34 112.98 15.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.757 ' C ' HD22 ' B' ' 430' ' ' LEU . 2.5 tt0 -77.22 140.42 40.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 1.054 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -130.64 144.99 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.476 ' CD ' ' HB2' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -129.37 130.07 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.94 99.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.9 42.44 2.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.654 ' OD2' HD13 ' B' ' 430' ' ' LEU . 21.2 t70 -106.47 169.1 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.771 . . . . 0.0 109.303 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.2 OUTLIER -117.46 126.82 74.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 1.054 HG21 HD11 ' B' ' 430' ' ' LEU . 15.5 t -137.1 136.15 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.768 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -98.73 132.75 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.537 HG23 ' CG1' ' B' ' 414' ' ' VAL . 38.9 t -84.73 110.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.704 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.45 154.31 48.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.622 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.9 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.45 111.88 6.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.51 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.16 -2.12 61.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.83 140.4 42.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.554 HD11 ' CD ' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -127.36 169.84 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.38 112.56 22.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.704 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.67 170.94 22.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.768 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.4 p -131.63 142.49 43.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.08 160.9 28.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.538 ' HB3' HG23 ' B' ' 435' ' ' VAL . 4.9 tt0 -58.56 -40.06 82.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -37.48 87.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.722 ' HB2' HG22 ' B' ' 455' ' ' VAL . 63.3 m-20 -67.14 -32.64 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.654 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -51.42 -47.71 62.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -57.08 -25.78 59.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.1 OUTLIER -91.8 16.82 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . 0.581 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -45.12 -23.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.1 ptmt -57.61 -30.53 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -135.45 49.65 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.4 OUTLIER -59.65 -31.75 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.65 -32.09 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.97 8.56 32.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.6 -18.78 13.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.8 mtt180 -55.06 154.45 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.647 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -164.11 -178.15 37.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.16 143.36 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -151.08 153.14 32.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.609 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.554 ' CD ' HD11 ' B' ' 452' ' ' LEU . 1.3 tt0 -68.9 -30.33 68.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -67.33 -18.51 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 1.017 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -99.99 3.66 44.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 1.017 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -132.65 175.15 9.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . 0.432 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.7 OUTLIER -138.31 128.49 25.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.491 ' HA ' HG12 ' B' ' 414' ' ' VAL . 8.8 ptt180 -76.06 141.85 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 11.9 t -98.87 122.35 53.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.567 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 162.86 36.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -58.67 127.84 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.406 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 65.8 p -93.29 158.07 37.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.96 134.48 17.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 144.18 29.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.42 ' HA3' ' CG ' ' B' ' 440' ' ' PRO . . . 87.69 -19.89 30.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 15.6 t80 -37.13 149.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 0.722 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . 0.488 ' CE ' HG12 ' B' ' 438' ' ' VAL . 11.5 mtt -107.44 -71.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 19.0 p90 -159.58 -179.78 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.482 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.3 OUTLIER -98.69 143.65 28.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.611 ' CG1' HG23 ' B' ' 438' ' ' VAL . 3.8 m -124.77 165.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 9.6 tp60 -132.89 123.86 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.669 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -72.01 144.09 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 7.3 mt-30 -115.88 -4.89 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 76.3 m-70 -138.44 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -111.03 105.75 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.839 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.7 t80 -115.89 123.11 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -91.39 113.24 25.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.839 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -106.97 117.4 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.3 p -116.88 91.91 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.411 ' H ' ' CG ' ' B' ' 427' ' ' GLU . 2.9 t0 -144.5 -173.65 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 10.39 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.16 52.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.574 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.1 OUTLIER -110.0 171.73 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.71 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -122.71 113.16 18.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.692 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.3 tt0 -80.43 136.31 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.98 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -126.7 141.97 51.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.2 123.93 37.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.92 104.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.03 49.56 2.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.548 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.2 t70 -111.19 170.12 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.625 HG23 ' CB ' ' B' ' 457' ' ' GLU . 2.0 m -119.98 119.79 61.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.98 HG21 HD11 ' B' ' 430' ' ' LEU . 24.7 t -130.45 149.32 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.781 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -113.04 127.44 56.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.611 HG23 ' CG1' ' B' ' 414' ' ' VAL . 59.1 t -78.28 115.97 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.696 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -124.43 153.91 69.28 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . 0.42 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.2 Cg_endo -75.01 116.57 4.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.587 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.9 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 108.05 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.538 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 98.68 -1.62 58.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.4 OUTLIER -138.12 138.27 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.442 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -123.4 171.1 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' B' ' 441' ' ' PHE . 0.2 OUTLIER -86.46 112.83 21.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.696 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.86 173.11 21.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.781 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.5 p -133.4 144.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.522 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.5 mtmp? -81.68 161.31 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.625 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.6 tt0 -58.1 -42.99 86.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.68 ' HB2' HG22 ' B' ' 455' ' ' VAL . 1.5 m-20 -63.37 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.652 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -52.08 -47.97 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -53.95 -26.18 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.7 OUTLIER -97.2 17.83 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -45.55 -23.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.611 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.73 -30.19 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -135.21 51.36 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.7 OUTLIER -68.85 -30.13 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -53.01 -32.48 46.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -109.71 8.64 24.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.11 -22.17 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 11.3 mtt180 -51.78 153.18 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.71 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -158.08 -178.61 32.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 9.8 t -122.84 143.19 36.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -149.89 150.2 29.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -31.49 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.404 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.3 p30 -70.17 -6.58 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.894 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -110.55 0.6 17.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.894 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.03 173.16 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.2 OUTLIER -122.41 145.86 47.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.7 OUTLIER -88.09 126.09 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.33 130.58 24.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.31 38.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.08 128.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 p -92.95 159.07 36.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -75.0 135.45 19.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.99 135.42 19.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 93.03 -23.71 28.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' B' ' 409' ' ' GLY . 22.8 t80 -36.23 149.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.3 mtt -112.01 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 30.0 p90 -154.42 -179.57 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 111.05 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.63 152.15 21.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.598 HG22 ' O ' ' B' ' 436' ' ' VAL . 5.0 m -130.56 165.95 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 6.0 tp60 -134.98 123.08 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.975 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -70.02 141.77 52.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -113.59 -2.2 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 83.5 m-70 -143.62 169.23 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' B' ' 431' ' ' LYS . 12.9 t70 -111.75 103.88 12.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 1.119 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.9 t80 -116.24 125.33 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -87.27 113.17 22.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 1.119 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.89 116.15 29.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.5 p -120.1 93.76 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.7 t70 -142.61 -175.25 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.6 t -88.58 -4.84 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.33 35.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -93.23 170.65 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.889 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -131.77 113.79 13.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.788 ' O ' HD22 ' B' ' 430' ' ' LEU . 2.5 tt0 -75.67 139.9 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.975 HD12 ' HB2' ' B' ' 416' ' ' ALA . 3.2 mm? -130.36 140.3 50.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.34 125.01 43.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -32.72 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.58 47.5 2.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.586 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 8.2 t0 -108.83 170.09 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.643 HG23 ' CB ' ' B' ' 457' ' ' GLU . 13.7 m -119.54 124.24 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.598 ' O ' HG22 ' B' ' 414' ' ' VAL . 42.7 t -136.13 149.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.78 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.76 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.557 HG23 ' CG1' ' B' ' 414' ' ' VAL . 3.2 t -84.87 113.03 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.671 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.41 153.28 51.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.2 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.77 112.72 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.65 -5.06 66.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CE3' ' HD3' ' B' ' 474' ' ' PRO . 1.2 m95 -134.01 146.52 50.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -129.43 170.71 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . 0.423 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -88.99 113.37 24.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.671 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.82 175.85 20.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.78 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.6 p -136.67 144.11 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.328 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.467 ' CG ' HG22 ' B' ' 436' ' ' VAL . 1.9 mtmp? -79.73 160.73 26.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.643 ' CB ' HG23 ' B' ' 435' ' ' VAL . 1.9 tt0 -58.09 -42.64 86.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 1.6 t -59.89 -44.13 94.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 82.9 m-20 -59.73 -32.13 70.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.67 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.8 -47.46 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -67.12 -24.91 65.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.444 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -84.52 17.89 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -45.22 -23.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.633 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mmtt -56.89 -30.08 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.14 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.459 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -62.55 -31.48 72.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 4.5 mt-10 -59.08 -17.7 28.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -115.15 8.16 15.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.7 OUTLIER -105.08 -26.87 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.258 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.34 139.52 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.889 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -155.69 -178.77 30.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 54.8 t -120.86 142.77 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -145.74 147.56 33.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.622 ' HD3' ' CE3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -69.09 -31.57 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -70.32 -5.55 28.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.927 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.16 0.68 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.927 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.9 OUTLIER -128.16 177.67 6.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.21 145.08 51.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.9 mtt180 -84.78 137.56 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.578 HG13 ' HD2' ' B' ' 482' ' ' PRO . 84.6 t -111.52 141.15 23.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . 0.578 ' HD2' HG13 ' B' ' 481' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.25 39.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 128.2 35.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.9 p -93.77 157.89 37.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -74.94 135.07 18.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.98 144.98 30.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.062 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.48 -21.78 19.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.442 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 16.7 t80 -36.74 146.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.9 mtt -108.43 -69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.442 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 28.0 p90 -157.92 -179.84 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.747 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.3 OUTLIER -102.76 146.38 28.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.601 ' CG1' HG23 ' B' ' 438' ' ' VAL . 2.8 m -125.63 167.65 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 3.4 tp60 -134.52 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 1.05 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -73.14 146.78 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -116.76 -2.32 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.2 m-70 -143.21 170.95 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 11.9 p-10 -111.83 102.1 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 1.094 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.7 t80 -115.95 118.69 33.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 45.6 m -85.47 113.74 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 1.094 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.8 115.9 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.3 p -120.56 93.65 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.3 t0 -142.05 -175.41 4.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -76.35 -16.25 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.88 43.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.831 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.5 OUTLIER -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.352 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.7 tp -123.4 113.32 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.76 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.1 tt0 -77.19 136.96 38.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 1.05 HD12 ' HB2' ' B' ' 416' ' ' ALA . 3.6 mm? -128.95 140.28 51.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.25 126.26 46.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.24 98.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.11 48.06 1.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.525 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 9.8 t0 -109.75 169.0 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.747 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.7 OUTLIER -120.48 122.19 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.939 HG22 ' HG3' ' B' ' 456' ' ' LYS . 39.1 t -131.07 148.92 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.856 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.88 125.14 52.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.601 HG23 ' CG1' ' B' ' 414' ' ' VAL . 24.2 t -78.74 110.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.695 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.8 153.72 49.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.03 4.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.501 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 27.9 t70 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.83 115.43 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.03 -4.49 65.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.057 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.811 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.1 m95 -134.96 161.48 35.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.811 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -148.67 172.29 14.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . 0.424 ' HE2' ' HA ' ' B' ' 453' ' ' MET . 0.0 OUTLIER -86.48 112.94 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.695 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -138.64 174.69 21.91 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.856 HG13 ' HG ' ' B' ' 437' ' ' LEU . 12.1 p -136.64 140.87 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.939 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.1 OUTLIER -78.19 161.73 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.656 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.6 tt0 -58.15 -36.33 72.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.04 74.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.513 ' HB2' HG22 ' B' ' 455' ' ' VAL . 0.9 OUTLIER -60.04 -32.83 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.621 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.1 t90 -51.97 -47.95 64.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -56.0 -25.69 45.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -90.32 17.38 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -45.61 -23.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.576 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mttt -58.1 -31.45 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . 0.44 ' HB3' ' CG ' ' B' ' 468' ' ' LYS . 3.2 mttt -142.94 57.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.94 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -54.51 -33.67 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -104.53 8.75 35.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.404 ' SG ' ' OD2' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -113.95 -10.02 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.355 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -55.29 156.57 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -165.22 178.01 40.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 44.4 t -120.62 143.38 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.526 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.1 p90 -141.84 144.97 34.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.709 ' HB3' HD21 ' B' ' 452' ' ' LEU . 2.3 tt0 -68.04 -27.56 66.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.4 OUTLIER -72.12 -5.66 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.857 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -116.6 3.38 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.857 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.6 OUTLIER -128.64 175.87 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.38 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -130.95 141.19 50.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.44 ' HD2' ' CE1' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -80.9 139.71 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' B' ' 414' ' ' VAL . 40.0 t -111.5 135.95 21.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.462 1.77 . . . . 0.0 111.006 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.41 37.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -59.5 128.58 37.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.2 p -92.98 158.57 37.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.02 133.91 17.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -74.98 144.61 30.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.26 -22.01 17.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.472 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.5 t80 -36.51 147.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . 0.447 ' CE ' HG12 ' B' ' 438' ' ' VAL . 10.0 mtt -108.1 -70.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' B' ' 438' ' ' VAL . 20.5 p90 -157.72 -179.84 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.678 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -103.04 145.29 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.548 HG13 HG23 ' B' ' 438' ' ' VAL . 4.5 m -123.98 165.65 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 14.8 tp60 -131.57 122.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.702 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -70.88 143.58 50.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.44 ' HB2' ' CD2' ' B' ' 418' ' ' HIS . 7.2 mt-30 -114.21 -4.76 13.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.65 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 16.2 m-70 -140.07 169.83 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.417 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 13.9 t0 -112.14 105.92 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 1.021 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.1 t80 -116.27 121.83 43.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -84.42 113.74 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 1.021 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.46 116.12 29.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 12.8 p -119.6 93.89 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.489 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.1 t70 -142.31 -175.6 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -86.06 -4.92 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -163.83 38.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.489 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.14 168.71 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.614 HD23 ' CA ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -124.3 113.58 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.707 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -79.91 130.94 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 1.046 HD11 HG21 ' B' ' 436' ' ' VAL . 2.8 mm? -123.5 139.54 53.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -125.66 125.4 43.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -29.71 103.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.9 45.9 2.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.619 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 5.1 t0 -107.22 164.68 11.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.678 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.4 OUTLIER -119.96 117.21 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 1.046 HG21 HD11 ' B' ' 430' ' ' LEU . 47.8 t -126.49 147.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.942 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.19 127.63 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.557 HG21 ' CE1' ' B' ' 412' ' ' PHE . 74.0 t -78.55 115.1 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.743 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -121.55 152.2 57.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.598 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 19.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.8 113.25 11.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.7 -4.62 63.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.658 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.82 160.91 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.658 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -148.09 172.04 14.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.28 112.58 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.743 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.14 175.89 20.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.942 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.4 p -136.54 139.23 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.47 ' HE2' ' CD1' ' B' ' 428' ' ' LEU . 8.7 mtmt -76.39 160.49 29.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.656 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.9 tt0 -58.92 -40.7 85.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.453 ' HB2' HG22 ' B' ' 455' ' ' VAL . 55.7 m-20 -66.96 -33.74 76.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.703 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -52.68 -47.74 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -56.86 -26.11 57.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 55.5 mm-40 -92.46 17.44 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -45.39 -23.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.598 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -58.3 -32.88 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.92 45.68 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.456 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.3 OUTLIER -54.74 -30.43 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.15 -17.43 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.38 8.51 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -109.89 -26.41 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -49.95 143.38 7.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.614 ' CA ' HD23 ' B' ' 428' ' ' LEU . . . -164.72 -177.92 37.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 24.5 t -117.01 143.83 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.534 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.7 p90 -146.1 145.75 25.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 113.23 3.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.562 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.4 tt0 -69.81 -27.01 64.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.44 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.3 p30 -74.04 -3.29 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.892 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -116.45 5.36 13.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.892 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.5 p -129.54 174.09 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.45 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . 0.402 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 8.2 tt0 -124.24 148.03 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 134.5 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.412 HG23 ' HA ' ' B' ' 414' ' ' VAL . 26.2 t -107.48 117.53 55.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.55 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.13 33.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -57.93 130.58 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 p -91.01 157.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.418 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.01 135.61 19.28 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.05 137.72 21.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.01 -23.49 17.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.6 t80 -36.1 147.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -105.75 -70.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.543 ' CE1' ' HD3' ' B' ' 480' ' ' ARG . 18.4 p90 -157.4 -179.58 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.675 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.2 OUTLIER -99.28 145.82 26.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.784 HG22 ' O ' ' B' ' 436' ' ' VAL . 5.4 m -127.23 164.84 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -134.65 122.65 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.632 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -69.03 152.93 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -123.81 0.38 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 82.7 m-70 -145.35 169.54 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -110.26 104.33 13.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.865 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.65 104.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -75.47 113.39 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -113.41 119.23 36.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -118.12 93.8 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -143.64 -174.17 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 7.8 t -95.53 1.32 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -165.23 53.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' B' ' 427' ' ' GLU . 0.1 OUTLIER -118.65 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.492 HD13 ' HA3' ' B' ' 471' ' ' GLY . 6.4 tp -129.95 113.34 14.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.66 ' C ' HD22 ' B' ' 430' ' ' LEU . 5.7 tt0 -78.15 137.62 38.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 1.012 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -129.79 146.2 51.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -128.74 130.19 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.76 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 102.87 45.91 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.572 ' OD2' HD13 ' B' ' 430' ' ' LEU . 27.0 t70 -110.21 170.08 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.675 HG12 ' NZ ' ' B' ' 413' ' ' LYS . 0.6 OUTLIER -117.44 128.1 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 1.012 HG21 HD11 ' B' ' 430' ' ' LEU . 25.4 t -137.57 145.1 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.891 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -107.87 133.33 52.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.47 HG23 ' CG1' ' B' ' 414' ' ' VAL . 6.4 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.759 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.22 152.87 55.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.628 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 11.5 t70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 114.03 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.502 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.78 -4.34 63.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.979 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -135.89 158.88 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.979 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -144.91 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . 0.45 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -87.21 113.83 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.759 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.0 177.97 19.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.891 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.0 p -138.03 145.21 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -81.49 161.65 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.572 ' CB ' HG23 ' B' ' 435' ' ' VAL . 6.2 tt0 -57.62 -43.13 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.49 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 18.5 m-20 -59.92 -32.79 71.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.418 ' NE1' ' HD3' ' B' ' 407' ' ' PRO . 3.9 t90 -52.34 -47.71 65.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -67.3 -23.84 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.461 ' C ' ' N ' ' B' ' 464' ' ' LYS . 56.4 mm-40 -82.79 17.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.91 -23.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' B' ' 462' ' ' GLN . 7.1 mtmt -56.89 -30.3 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -140.41 53.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.434 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.4 OUTLIER -60.37 -31.84 70.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.09 -17.65 41.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.92 8.07 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.7 OUTLIER -103.55 -24.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.44 137.61 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -155.2 178.65 31.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.16 142.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.461 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 16.3 p90 -147.15 147.5 29.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.582 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 117.21 4.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.56 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.1 tt0 -68.86 -30.45 68.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.441 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.18 -5.41 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.836 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.31 0.44 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.836 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.29 179.57 5.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -132.17 150.95 52.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 8.1 mtt180 -88.12 131.46 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.47 115.82 60.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.36 35.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.05 129.86 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.438 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 98.0 p -91.62 156.25 43.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 134.3 17.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -75.04 141.82 27.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.82 -23.02 18.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.3 t80 -35.91 148.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.2 mtt -106.22 -71.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.559 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 7.9 p90 -160.15 177.09 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.599 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -93.83 139.39 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.962 HG22 ' O ' ' B' ' 436' ' ' VAL . 14.9 m -119.51 167.53 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' B' ' 479' ' ' GLU . 6.5 tp60 -133.88 129.33 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' B' ' 430' ' ' LEU . . . -76.76 146.85 37.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -117.5 -0.96 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.56 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.7 m-70 -147.15 168.87 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.572 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -107.84 103.87 13.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -113.83 110.35 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -81.02 113.66 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -113.12 117.94 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.2 p -117.99 93.19 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.6 t70 -142.11 -174.94 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 13.6 t -88.18 -0.79 57.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -165.47 36.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.458 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -92.53 164.2 13.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.401 HD13 ' HA3' ' B' ' 471' ' ' GLY . 1.9 tp -121.86 113.79 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -83.87 136.73 34.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' B' ' 416' ' ' ALA . 0.3 OUTLIER -129.92 151.61 50.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.66 131.28 46.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.39 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.54 44.8 2.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.57 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 26.7 t70 -109.55 169.91 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.608 HG23 ' CB ' ' B' ' 457' ' ' GLU . 1.5 m -117.83 126.85 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.962 ' O ' HG22 ' B' ' 414' ' ' VAL . 37.4 t -135.66 143.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.718 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -102.77 133.25 48.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.489 HG23 ' CG1' ' B' ' 414' ' ' VAL . 7.5 t -87.32 109.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.97 153.3 47.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.17 4.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.634 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 4.3 t0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.5 OUTLIER -69.76 111.69 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.535 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.19 0.26 61.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.634 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.3 m95 -138.64 147.43 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -134.74 172.02 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.37 113.6 23.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.07 172.95 22.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.9 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.9 p -136.88 145.68 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.548 ' HG2' HG22 ' B' ' 436' ' ' VAL . 0.2 OUTLIER -77.98 160.63 28.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.608 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.9 tt0 -57.89 -43.6 86.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -37.91 76.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.9 ' HB2' HG22 ' B' ' 455' ' ' VAL . 25.8 m-20 -66.0 -32.3 73.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.718 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.5 t90 -51.44 -47.06 63.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -57.78 -26.81 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -92.79 16.76 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . 0.533 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -45.85 -23.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.603 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 12.8 tttt -57.85 -30.37 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -131.47 48.81 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 3.7 pp -55.03 -31.51 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.08 -18.86 63.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -115.0 7.29 15.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.0 OUTLIER -112.48 -10.84 13.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -60.25 150.62 29.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.401 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -165.14 179.97 39.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.029 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 23.2 t -125.37 142.72 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.481 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 10.9 p90 -149.3 150.26 31.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 115.43 4.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.717 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.3 tt0 -69.08 -29.85 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.454 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.4 p30 -71.93 -5.4 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.85 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.32 2.27 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.85 HG23 ' CD1' ' B' ' 477' ' ' PHE . 2.0 p -128.22 -179.68 5.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 415' ' ' GLN . 5.0 tt0 -131.45 150.01 52.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.448 ' HD2' ' CZ ' ' B' ' 412' ' ' PHE . 11.2 mtm-85 -89.84 133.8 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 40.3 t -111.27 115.92 51.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.47 33.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.48 130.44 46.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.443 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 88.1 p -90.91 157.1 43.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -75.06 133.57 16.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.0 Cg_endo -75.03 144.27 29.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.04 -23.95 12.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' B' ' 409' ' ' GLY . 19.5 t80 -35.83 147.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.7 mtt -110.06 -69.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.406 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 18.3 p90 -157.17 -179.5 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.632 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -100.27 147.45 25.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.786 HG22 ' O ' ' B' ' 436' ' ' VAL . 11.2 m -125.29 167.43 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 3.3 tp60 -133.12 123.18 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.686 ' HB3' ' H ' ' B' ' 434' ' ' ASP . . . -71.99 145.14 48.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.39 3.15 13.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.4 m-70 -148.13 169.53 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.32 100.43 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 1.0 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -113.07 117.97 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.78 114.67 21.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 1.0 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -110.76 116.33 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 20.2 p -119.8 94.03 4.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 8.9 t -85.54 -5.44 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -163.69 38.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.495 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.58 170.83 9.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.883 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -130.38 113.49 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.456 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.7 tt0 -79.44 141.18 37.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 1.01 HD11 HG21 ' B' ' 436' ' ' VAL . 3.5 mm? -127.44 154.65 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -131.69 127.85 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' B' ' 418' ' ' HIS . . . -39.27 96.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.88 33.06 4.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.686 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.1 t70 -96.2 169.99 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.632 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.6 OUTLIER -115.41 127.13 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 1.01 HG21 HD11 ' B' ' 430' ' ' LEU . 3.3 t -135.34 143.92 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -103.44 130.74 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.474 HG23 ' CG1' ' B' ' 414' ' ' VAL . 3.2 t -85.49 109.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.722 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.05 153.29 48.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.9 t70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.99 113.91 8.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.57 -3.89 63.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.805 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -136.0 159.42 41.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.826 HD21 ' CB ' ' B' ' 475' ' ' GLU . 0.1 OUTLIER -145.17 172.01 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.39 113.5 23.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.722 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.6 176.51 21.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' B' ' 437' ' ' LEU . 12.7 p -138.28 144.84 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.419 ' HG2' ' CG2' ' B' ' 436' ' ' VAL . 0.5 OUTLIER -78.71 160.49 27.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.588 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.7 tt0 -58.68 -43.27 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -36.64 80.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.699 ' HB2' HG22 ' B' ' 455' ' ' VAL . 61.1 m-20 -65.58 -33.37 75.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.663 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.46 -47.67 66.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -56.49 -26.26 53.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' B' ' 464' ' ' LYS . 1.5 mp0 -94.48 17.59 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . 0.516 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.2 OUTLIER -45.55 -24.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.571 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.3 mtpt -58.26 -30.74 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . 0.421 ' HB3' ' CD ' ' B' ' 468' ' ' LYS . 0.7 OUTLIER -135.61 48.23 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.623 HD12 ' HG2' ' B' ' 470' ' ' ARG . 0.1 OUTLIER -69.47 -29.45 67.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . 0.402 ' HA ' ' NH1' ' B' ' 470' ' ' ARG . 5.3 mt-10 -53.55 -35.64 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . 0.421 ' CD ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -106.05 9.11 32.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.406 ' CB ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -106.11 -18.66 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . 0.623 ' HG2' HD12 ' B' ' 466' ' ' LEU . 3.4 mtm-85 -51.06 153.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.883 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -162.91 -177.37 35.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 14.1 t -125.37 143.24 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.444 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 13.8 p90 -145.55 149.66 41.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.6 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.826 ' CB ' HD21 ' B' ' 452' ' ' LEU . 2.2 tt0 -69.74 -29.65 67.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.445 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -72.61 -4.48 31.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.927 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.53 1.79 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.927 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -128.93 -179.89 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -131.48 143.96 50.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.33 135.92 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' B' ' 414' ' ' VAL . 17.4 t -104.66 139.82 20.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.82 38.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.31 128.47 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -93.03 159.1 36.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.95 135.16 18.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.1 Cg_endo -75.03 145.42 31.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.05 -18.63 30.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.82 150.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . 0.446 ' SD ' HG12 ' B' ' 438' ' ' VAL . 11.3 mtt -108.28 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.555 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.1 p90 -159.04 -179.77 8.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.791 ' HE2' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -99.92 133.31 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.715 ' CG1' HG23 ' B' ' 438' ' ' VAL . 1.4 m -114.38 166.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.592 ' HB2' HG21 ' B' ' 481' ' ' VAL . 13.7 tp60 -132.33 124.94 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.849 ' HB2' HD23 ' B' ' 430' ' ' LEU . . . -70.57 147.78 48.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -119.02 -6.01 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.7 m-70 -141.64 169.08 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 9.7 p-10 -107.69 106.34 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.912 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.8 t80 -114.8 111.83 21.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -84.12 113.88 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.912 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -111.24 116.7 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 43.6 p -117.63 91.69 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.19 -173.51 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.5 t -94.46 14.1 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 t70 179.29 60.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -125.06 170.94 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.726 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.69 113.5 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.498 ' O ' ' CD ' ' B' ' 456' ' ' LYS . 5.2 tt0 -80.44 132.87 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.911 HD21 HG21 ' B' ' 436' ' ' VAL . 0.3 OUTLIER -125.29 144.27 50.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.4 131.08 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.25 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.21 48.94 1.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.616 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.8 t0 -110.95 172.64 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.791 HG12 ' HE2' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -120.54 123.39 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.911 HG21 HD21 ' B' ' 430' ' ' LEU . 22.0 t -133.6 149.12 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.806 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -111.82 125.16 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.715 HG23 ' CG1' ' B' ' 414' ' ' VAL . 11.8 t -77.21 110.59 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.69 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 152.82 53.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 12.1 t70 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 108.19 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.526 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.82 0.31 59.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.599 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.7 OUTLIER -138.62 143.46 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -128.8 171.77 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.72 113.04 22.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.69 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -137.31 165.92 25.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.806 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.4 p -127.67 144.85 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.325 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.862 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.5 OUTLIER -80.86 162.89 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.639 ' HB3' HG23 ' B' ' 435' ' ' VAL . 5.5 tt0 -57.86 -39.1 76.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -46.74 77.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.556 ' HB2' HG22 ' B' ' 455' ' ' VAL . 7.2 m-20 -59.98 -32.7 71.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.68 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.8 t90 -51.8 -47.81 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -55.44 -26.79 44.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.44 16.62 13.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -45.83 -23.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.556 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 6.2 pttt -58.26 -31.19 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 43.15 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.33 -31.14 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.79 -22.58 47.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.63 7.38 14.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.84 -13.27 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 7.2 mtt180 -57.29 151.06 16.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.726 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -160.56 -178.19 34.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 5.2 t -125.79 143.2 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 9.5 p90 -149.8 150.06 29.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.597 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.93 119.82 5.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -68.96 -34.59 75.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.408 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.7 p30 -69.66 -6.26 30.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.713 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.2 OUTLIER -108.54 2.32 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.713 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -128.35 -179.8 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.458 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -131.83 150.66 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.435 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 7.3 mtm-85 -88.18 126.53 35.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . 0.592 HG21 ' HB2' ' B' ' 415' ' ' GLN . 22.0 t -105.06 138.52 19.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.541 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.73 34.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 130.19 45.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.5 p -91.47 157.3 42.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.011 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.98 134.53 17.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 141.16 26.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.55 -22.3 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 9.1 t80 -36.24 147.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . 0.492 ' SD ' HG12 ' B' ' 438' ' ' VAL . 11.5 mtt -103.76 -73.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.561 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.4 p90 -158.22 179.4 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.721 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -96.47 140.3 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.963 HG22 ' O ' ' B' ' 436' ' ' VAL . 16.3 m -120.92 166.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 7.8 tp60 -134.71 127.38 30.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.631 ' HB3' ' H ' ' B' ' 434' ' ' ASP . . . -75.48 141.36 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 8.0 mt-30 -112.89 -6.4 13.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.63 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 19.9 m-70 -138.5 168.34 19.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.584 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 5.2 p-10 -109.34 105.87 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.92 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.6 t80 -116.36 124.08 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -92.46 116.71 29.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 0.92 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.26 116.48 30.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 34.4 p -118.24 91.2 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.403 ' H ' ' CG ' ' B' ' 427' ' ' GLU . 4.9 t0 -144.45 -173.96 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' B' ' 426' ' ' ASP . 9.5 t -94.81 13.94 23.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 425' ' ' THR . 13.3 m-20 -179.55 59.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -124.48 171.57 9.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.841 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -128.07 113.27 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.493 ' C ' HD22 ' B' ' 430' ' ' LEU . 4.9 tt0 -76.09 134.76 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.994 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -123.55 141.38 52.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.67 126.73 46.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.08 102.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.35 48.54 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.631 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.7 t0 -110.46 171.62 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.721 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -119.8 119.29 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.994 HG21 HD11 ' B' ' 430' ' ' LEU . 14.8 t -129.65 144.02 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.462 ' HG ' ' CG1' ' B' ' 455' ' ' VAL . 0.0 OUTLIER -106.12 133.39 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.559 HG23 ' CG1' ' B' ' 414' ' ' VAL . 48.9 t -86.28 110.25 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.726 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.78 153.69 48.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.621 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.2 t70 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.97 113.17 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.4 -3.34 63.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.621 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.5 157.09 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.609 HD11 ' OE1' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -142.59 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.34 113.82 23.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.726 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -141.22 169.17 25.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.956 HG22 ' HB2' ' B' ' 459' ' ' ASP . 2.3 p -129.97 146.47 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -78.87 163.16 25.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.596 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.6 tt0 -58.06 -43.24 86.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -39.39 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.956 ' HB2' HG22 ' B' ' 455' ' ' VAL . 29.4 m-20 -65.2 -32.43 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.428 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.56 -47.3 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -62.96 -24.73 68.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 36.8 mm-40 -86.84 17.73 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . 0.434 ' O ' HD23 ' B' ' 466' ' ' LEU . 0.0 OUTLIER -45.21 -24.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.598 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.99 -30.68 66.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -139.72 52.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.434 HD23 ' O ' ' B' ' 463' ' ' HIS . 2.7 pp -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.95 -18.81 59.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -114.46 6.36 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.66 -15.22 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -56.81 152.78 11.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.841 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -167.01 -179.62 40.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 37.3 t -121.55 143.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.737 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.461 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.1 p90 -146.76 148.69 34.03 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.8 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.609 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.1 tt0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.445 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.15 -4.94 32.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.893 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.66 2.22 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.893 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -127.33 175.97 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . 0.419 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 2.3 tt0 -128.86 151.3 49.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.446 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.1 mtm180 -89.78 131.01 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.02 115.81 62.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.73 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.78 130.45 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.435 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 79.4 p -90.83 157.11 44.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.99 134.21 17.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.556 1.819 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 143.8 29.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.41 -21.17 22.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' B' ' 409' ' ' GLY . 8.1 t80 -35.83 146.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -105.57 -72.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.42 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 19.6 p90 -153.4 -179.99 8.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.779 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -103.47 135.83 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.8 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.7 m -119.44 168.25 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 2.0 tp60 -133.7 131.19 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.991 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -75.53 144.7 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.12 -0.89 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.1 m-70 -144.79 170.07 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 7.9 p-10 -112.08 103.13 11.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 1.036 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.1 t80 -116.34 116.92 28.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -82.25 113.03 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -113.19 116.85 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.9 p -119.47 94.23 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.506 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.6 t0 -142.16 -174.97 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.5 t -89.22 -0.94 57.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.17 32.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.506 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -91.84 170.56 9.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . 0.715 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -132.37 113.27 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.606 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -76.25 135.82 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 0.991 HD12 ' HB2' ' B' ' 416' ' ' ALA . 2.7 mm? -125.74 146.62 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.21 126.13 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.17 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.02 50.55 1.24 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.549 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.7 t0 -112.91 172.61 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.779 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -120.6 120.88 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 0.915 HG22 ' HG3' ' B' ' 456' ' ' LYS . 39.5 t -131.53 137.52 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.895 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -103.25 123.65 47.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' B' ' 414' ' ' VAL . 15.9 t -74.26 110.44 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.791 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.74 153.16 46.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.81 4.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.809 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.559 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.5 t0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.64 111.72 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.52 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.47 -2.17 60.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.807 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -137.18 154.72 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.807 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -142.34 172.17 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.99 113.61 22.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.791 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.87 172.02 22.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.895 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.7 p -135.41 139.09 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . 0.915 ' HG3' HG22 ' B' ' 436' ' ' VAL . 1.1 mtpm? -75.46 162.1 28.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.617 ' HB3' HG23 ' B' ' 435' ' ' VAL . 4.4 tt0 -59.83 -40.33 88.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -37.64 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.552 ' HB2' HG22 ' B' ' 455' ' ' VAL . 45.6 m-20 -68.63 -33.1 73.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.733 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.3 t90 -51.87 -49.57 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -54.61 -26.35 32.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.467 ' C ' ' N ' ' B' ' 464' ' ' LYS . 1.9 mp0 -104.55 19.72 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' B' ' 463' ' ' HIS . 0.2 OUTLIER -45.43 -22.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.467 ' N ' ' C ' ' B' ' 462' ' ' GLN . 3.5 tttt -57.44 -30.78 65.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -126.26 45.13 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.53 -36.98 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.46 -17.13 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -115.11 3.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.507 ' HG ' ' CG ' ' B' ' 459' ' ' ASP . 0.5 OUTLIER -114.97 -19.21 11.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.9 mtm180 -52.46 152.3 3.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.715 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -166.17 179.75 40.08 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 71.9 t -121.33 142.59 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.464 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 11.7 p90 -147.01 149.39 35.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.588 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.503 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.2 tt0 -68.83 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . 0.417 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -71.27 -5.64 33.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.787 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.3 1.91 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.787 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.63 179.47 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 415' ' ' GLN . 2.3 tt0 -129.59 145.57 51.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.09 131.23 34.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.14 118.48 52.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 162.04 37.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 128.05 35.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.9 p -93.88 156.8 38.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 407' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 133.79 17.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 408' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -75.01 144.54 30.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.28 -22.09 17.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 410' ' ' PHE . . . . . 0.489 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 17.3 t80 -35.91 150.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.773 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.2 mtt -110.64 -71.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.489 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.1 p90 -157.2 179.7 9.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 413' ' ' LYS . . . . . 0.68 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -102.54 137.85 40.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 414' ' ' VAL . . . . . 0.747 ' CG1' HG23 ' B' ' 438' ' ' VAL . 0.9 OUTLIER -116.87 167.2 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -133.87 118.9 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 416' ' ' ALA . . . . . 0.721 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.5 149.79 49.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 10.1 mt-30 -119.73 -0.21 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.502 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.6 m-70 -145.85 170.22 16.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.16 . . . . 0.0 109.61 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 419' ' ' ASP . . . . . 0.447 ' OD2' ' HB2' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -111.25 103.27 11.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 1.034 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.4 t80 -116.19 109.62 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.9 113.91 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 422' ' ' ALA . . . . . 1.034 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.58 117.35 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 40.7 p -119.7 94.87 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 424' ' ' ASP . . . . . 0.496 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t70 -140.86 -175.42 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.3 t -82.8 -9.67 59.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -161.86 44.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.496 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.6 OUTLIER -95.57 170.26 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 3.9 tp -126.87 113.1 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 429' ' ' GLN . . . . . 0.68 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.8 tt0 -77.66 136.99 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 430' ' ' LEU . . . . . 1.094 HD11 HG21 ' B' ' 436' ' ' VAL . 4.4 mm? -129.18 141.92 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.8 132.09 53.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 432' ' ' ALA . . . . . 0.447 ' HB2' ' OD2' ' B' ' 419' ' ' ASP . . . -38.27 97.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.95 45.97 1.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 434' ' ' ASP . . . . . 0.673 ' OD2' HD13 ' B' ' 430' ' ' LEU . 18.9 t70 -108.78 169.52 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 435' ' ' VAL . . . . . 0.68 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -118.53 121.33 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 436' ' ' VAL . . . . . 1.094 HG21 HD11 ' B' ' 430' ' ' LEU . 3.2 t -130.45 139.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 437' ' ' LEU . . . . . 0.902 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -101.19 133.68 45.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 438' ' ' VAL . . . . . 0.747 HG23 ' CG1' ' B' ' 414' ' ' VAL . 49.7 t -86.9 110.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.99 153.94 48.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 441' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 448' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' B' ' 451' ' ' TRP . 30.5 t70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 449' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 5.1 pt-20 -68.88 117.84 11.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 450' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 94.64 -4.15 68.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 451' ' ' TRP . . . . . 0.673 ' O ' HD23 ' B' ' 452' ' ' LEU . 1.3 m95 -136.59 161.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.673 HD23 ' O ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -149.43 169.87 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 453' ' ' MET . . . . . 0.536 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.22 113.0 21.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -137.25 178.08 19.29 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 455' ' ' VAL . . . . . 0.902 HG13 ' HG ' ' B' ' 437' ' ' LEU . 3.9 p -138.44 145.48 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -79.74 159.74 26.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 457' ' ' GLU . . . . . 0.616 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.0 tt0 -57.91 -44.39 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -36.74 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . 0.485 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 71.8 m-20 -68.1 -33.22 74.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 460' ' ' TRP . . . . . 0.45 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.1 t90 -52.52 -47.33 66.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -59.82 -26.61 65.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 462' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.4 OUTLIER -93.24 17.22 11.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -45.34 -24.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' B' ' 462' ' ' GLN . 4.2 pttt -57.96 -30.6 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.96 39.37 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.445 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -57.4 -30.54 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.27 -18.92 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 9.04 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 469' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -108.13 -21.66 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.336 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 470' ' ' ARG . . . . . 0.404 HH12 HD21 ' B' ' 466' ' ' LEU . 0.2 OUTLIER -50.53 127.15 17.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 471' ' ' GLY . . . . . 0.536 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -150.55 -177.57 24.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.478 1.112 . . . . 0.0 111.009 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 39.9 t -118.48 149.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 473' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' B' ' 438' ' ' VAL . 27.4 p90 -150.84 145.54 18.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 474' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 112.54 3.58 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 475' ' ' GLU . . . . . 0.553 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.3 tt0 -68.32 -28.51 67.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.85 -6.57 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -113.5 2.2 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.7 OUTLIER -128.04 177.16 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 479' ' ' GLU . . . . . 0.411 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.7 OUTLIER -134.07 146.69 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.255 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 480' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 0.3 OUTLIER -84.27 137.4 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.73 118.48 48.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.882 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 1.5 mp -79.74 121.05 81.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.15 10.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -67.38 133.48 93.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.381 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.0 171.78 17.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.6 38.58 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 129.18 40.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.9 p -92.79 158.07 38.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' NE ' ' A' ' 65' ' ' ARG . 18.4 Cg_endo -74.96 172.18 16.85 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.7 p -72.36 91.46 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' B' ' 446' ' ' GLU . 0.5 OUTLIER -79.96 84.45 5.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -79.96 106.23 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 m -72.76 86.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -71.41 -172.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' B' ' 405' ' ' ASP . 0.7 OUTLIER -123.58 -41.76 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.422 ' N ' ' HG ' ' B' ' 404' ' ' LEU . 4.7 m-20 -108.72 154.2 22.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.27 159.66 53.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.1 Cg_endo -75.05 133.42 16.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.06 143.26 28.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.83 -22.59 20.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.97 146.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.8 mtt -106.94 -71.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 23.8 p90 -156.59 -179.41 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.511 ' HZ3' HG11 ' B' ' 481' ' ' VAL . 0.2 OUTLIER -102.53 146.61 27.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.589 ' HA ' HG23 ' B' ' 481' ' ' VAL . 2.2 m -129.42 167.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 1.3 tp60 -134.39 130.89 37.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.625 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -75.22 155.5 36.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.473 ' NE2' HD21 ' A' ' 56' ' ' LEU . 9.6 mt-30 -125.59 1.15 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.0 m-70 -144.93 170.02 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 11.5 p-10 -111.75 101.37 9.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.869 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.69 107.35 14.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.6 m -75.72 113.79 13.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.869 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.49 117.52 32.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -118.27 94.92 4.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 3.5 t0 -142.29 -174.81 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.0 t -86.66 -5.07 59.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.74 37.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.493 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.7 mm-40 -92.71 168.86 10.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.59 HD23 ' CA ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -125.97 113.92 17.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.773 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.9 tt0 -79.45 133.52 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.964 HD11 HG21 ' B' ' 436' ' ' VAL . 3.4 mm? -125.31 143.43 50.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -128.21 124.35 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.506 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -31.69 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 97.02 52.05 1.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.518 ' OD2' ' CD ' ' B' ' 456' ' ' LYS . 5.9 t70 -113.3 169.89 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.634 HG23 ' CB ' ' B' ' 457' ' ' GLU . 6.7 m -120.28 126.43 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.964 HG21 HD11 ' B' ' 430' ' ' LEU . 78.9 t -136.54 150.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.635 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.74 128.63 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.488 HG23 ' CG1' ' B' ' 414' ' ' VAL . 18.7 t -79.01 120.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.705 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -125.05 154.4 71.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . 0.403 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -74.96 115.78 4.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.59 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -58.0 -179.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -81.79 -5.0 57.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 172.73 150.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.6 20.26 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.76 -23.18 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 2.4 mm-40 -85.44 -29.54 24.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.59 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 7.9 tt0 -55.13 131.11 44.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.3 t70 -89.03 155.56 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . 0.541 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 6.9 pt-20 -74.74 111.14 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -5.72 64.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.615 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.6 OUTLIER -134.53 145.93 49.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -129.45 171.98 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.436 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -87.36 112.82 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.705 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.67 165.71 24.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.5 p -127.38 143.8 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.4 mtmp? -79.14 161.24 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.634 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.2 tt0 -57.8 -41.37 82.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.18 98.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.876 ' HB2' HG22 ' B' ' 455' ' ' VAL . 71.1 m-20 -62.06 -33.2 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.635 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.8 t90 -52.45 -47.7 66.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -58.06 -26.28 62.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.417 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.16 17.86 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -24.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' B' ' 462' ' ' GLN . 9.9 mmtt -58.33 -30.89 67.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -134.16 41.98 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.64 -31.48 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -60.21 -19.38 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.18 7.48 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 -10.23 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -62.45 155.06 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.59 ' CA ' HD23 ' B' ' 428' ' ' LEU . . . -167.13 -179.52 40.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.487 HG21 ' CB ' ' A' ' 65' ' ' ARG . 18.5 t -121.93 144.52 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.765 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.4 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 10.6 p90 -148.04 150.06 34.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.606 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.04 117.27 4.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.8 tt0 -69.41 -28.72 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.2 -5.73 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -110.53 0.67 17.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.3 p -127.34 176.94 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . 0.427 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 3.4 tt0 -129.5 143.33 50.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 4.2 mtt180 -79.58 141.74 36.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' B' ' 414' ' ' VAL . 21.7 t -119.71 119.57 31.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.943 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' HB2' ' NE2' ' B' ' 418' ' ' HIS . 9.2 mp -79.67 121.58 82.64 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.74 10.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 t -65.76 132.21 94.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.457 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.96 171.13 18.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.98 37.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.0 128.89 39.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.2 p -92.13 157.59 40.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.31 16.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.542 1.811 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.7 p -72.89 82.46 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.028 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.564 ' CZ ' HG22 ' B' ' 472' ' ' VAL . 43.0 mtp180 -79.0 86.82 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.311 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.17 112.89 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.482 ' CA ' ' OE1' ' B' ' 442' ' ' GLN . 1.2 t -67.79 -58.15 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.563 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -68.7 176.38 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.268 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.33 -36.56 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.54 155.1 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 160.05 47.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.96 134.18 17.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.428 1.752 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.5 Cg_endo -74.98 143.04 28.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.74 -23.25 17.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.9 t80 -36.14 146.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.9 mtt -106.79 -71.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 23.8 p90 -156.79 179.95 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.611 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.4 OUTLIER -98.39 146.56 25.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.694 ' CG1' HG23 ' B' ' 438' ' ' VAL . 10.5 m -124.69 166.36 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 23.8 tp60 -134.41 119.62 18.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.636 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.53 149.45 50.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.402 ' NE2' HD21 ' A' ' 56' ' ' LEU . 9.9 mt-30 -121.56 -0.06 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.584 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 80.1 m-70 -147.65 168.94 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -109.1 105.27 14.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.828 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.8 t80 -115.87 109.5 17.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.5 m -77.36 112.98 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.828 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.93 117.91 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.7 p -118.35 93.96 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 7.4 t0 -141.9 -175.53 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -89.09 2.49 54.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -168.56 35.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.34 170.81 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.503 HD23 HD21 ' B' ' 430' ' ' LEU . 5.7 tp -129.12 114.17 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.429 ' C ' HD22 ' B' ' 430' ' ' LEU . 4.1 tt0 -80.96 131.03 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.84 HD11 HG21 ' B' ' 436' ' ' VAL . 4.2 mm? -121.89 140.24 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.9 128.8 51.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.34 102.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.57 2.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 8.5 t0 -109.87 167.56 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.622 HG23 ' CB ' ' B' ' 457' ' ' GLU . 4.8 m -119.08 119.9 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.84 HG21 HD11 ' B' ' 430' ' ' LEU . 20.7 t -129.32 149.96 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.658 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -110.04 124.94 52.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.694 HG23 ' CG1' ' B' ' 414' ' ' VAL . 43.8 t -77.18 113.98 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.726 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 153.88 54.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -57.24 -178.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.482 ' OE1' ' CA ' ' A' ' 67' ' ' SER . 1.8 pm0 -81.76 -3.9 54.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.36 150.0 0.18 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -20.92 16.35 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -22.96 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.45 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 21.2 mm-40 -88.58 -18.67 27.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.564 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.0 tt0 -64.94 148.4 51.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.2 t0 -106.27 153.51 22.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.3 OUTLIER -74.22 111.07 9.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.1 -4.13 62.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.685 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.85 149.66 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.685 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -135.88 172.36 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.45 112.49 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.039 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.726 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.12 175.4 20.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.586 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.1 p -138.02 143.58 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.485 ' CG ' HG22 ' B' ' 436' ' ' VAL . 2.9 mtmp? -79.05 160.05 27.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.622 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.7 tt0 -58.36 -42.78 87.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -41.75 94.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.469 ' HB3' ' CG2' ' B' ' 455' ' ' VAL . 11.3 m-20 -64.37 -31.91 73.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.658 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.8 t90 -51.23 -47.54 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . 0.401 ' HB2' ' NE2' ' B' ' 462' ' ' GLN . 41.2 m-80 -54.21 -25.95 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.447 ' C ' ' N ' ' B' ' 464' ' ' LYS . 35.7 mm-40 -93.22 17.36 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' B' ' 460' ' ' TRP . 8.8 t60 -45.45 -22.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.9 OUTLIER -57.72 -30.17 65.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.07 45.83 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.2 OUTLIER -54.32 -32.65 57.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . 0.412 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 5.4 mt-10 -62.06 -17.38 57.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 6.26 14.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.401 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -114.84 -9.02 12.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 4.1 mtm180 -59.42 149.54 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.1 171.97 36.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.564 HG22 ' CZ ' ' A' ' 65' ' ' ARG . 37.9 t -119.77 142.88 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -149.58 151.95 34.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.595 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.8 tt0 -68.93 -29.23 67.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.77 -5.91 37.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.942 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.3 3.41 18.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.942 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.4 p -130.26 -179.33 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 149.8 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -88.44 140.67 29.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 49.0 t -116.83 127.52 26.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.458 1.768 . . . . 0.0 111.022 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 56' ' ' LEU . 6.4 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.658 HD21 ' NE2' ' B' ' 417' ' ' GLN . 0.9 OUTLIER -98.41 120.5 59.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.69 10.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 1.5 t -66.59 133.69 94.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 58' ' ' THR . 18.4 Cg_endo -75.0 169.36 22.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.05 36.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 130.0 44.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 93.2 p -91.12 156.96 43.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -71.62 89.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.548 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 15.1 mtp180 -78.3 86.28 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.26 109.02 15.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 t -96.37 90.62 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.972 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.619 ' N ' ' HE ' ' B' ' 403' ' ' ARG . 0.0 OUTLIER -66.1 -175.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.28 -40.92 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -112.93 153.97 27.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.95 160.03 61.61 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.0 133.45 16.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.04 142.88 28.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.63 -22.95 18.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.484 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.47 149.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 0.797 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.8 mtt -110.74 -71.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.484 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 21.1 p90 -158.56 -179.87 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.617 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -99.93 145.42 27.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 436' ' ' VAL . 9.6 m -123.92 166.63 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 19.5 tp60 -133.49 119.69 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.58 150.94 48.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.658 ' NE2' HD21 ' A' ' 56' ' ' LEU . 8.9 mt-30 -121.87 -0.51 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.581 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 86.9 m-70 -145.97 169.43 18.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' B' ' 419' ' ' ASP . 8.0 p-10 -110.29 102.77 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.845 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.4 t80 -113.61 106.46 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 6.4 m -76.1 113.57 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.387 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.845 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -112.76 118.33 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 58.6 p -117.91 94.79 4.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.46 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.41 -175.22 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 15.3 t -86.35 0.88 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -171.55 40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.1 mm-40 -91.94 169.5 10.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.492 HD13 ' HA3' ' B' ' 471' ' ' GLY . 6.4 tp -124.11 113.55 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.602 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.3 tt0 -82.39 132.53 35.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.887 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -125.02 138.72 54.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -121.0 128.5 52.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.01 101.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.39 47.89 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.491 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 29.4 t0 -111.86 169.18 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' B' ' 457' ' ' GLU . 1.3 m -118.92 126.06 75.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.887 HG21 HD11 ' B' ' 430' ' ' LEU . 25.1 t -134.95 146.54 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.649 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -107.08 127.28 53.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.591 HG23 ' CG1' ' B' ' 414' ' ' VAL . 42.7 t -79.72 110.54 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.714 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.31 154.14 48.78 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 116.19 4.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.17 -172.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.55 -16.84 31.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.44 148.28 1.25 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -21.23 16.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -66.65 -29.73 69.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.548 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 4.7 mm-40 -83.39 -24.42 31.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.449 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 3.8 tt0 -56.91 139.8 50.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.619 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 9.4 t0 -98.69 148.09 24.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 5.4 pt-20 -71.53 113.7 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.0 -4.28 62.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.668 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.7 OUTLIER -135.46 152.39 51.32 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.668 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -137.86 170.9 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.415 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.3 OUTLIER -88.14 113.01 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.714 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.46 168.44 23.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.858 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.9 p -130.99 144.94 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.518 ' CE ' ' O ' ' B' ' 429' ' ' GLN . 0.1 OUTLIER -78.04 159.53 28.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.63 ' HB3' HG23 ' B' ' 435' ' ' VAL . 3.5 tt0 -58.04 -37.74 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.96 96.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.858 ' HB2' HG22 ' B' ' 455' ' ' VAL . 20.9 m-20 -61.09 -33.34 73.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.649 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.14 -47.23 65.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.051 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -56.07 -26.2 48.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.6 OUTLIER -98.81 17.01 20.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -45.78 -23.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.603 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.7 tttp -57.97 -30.88 66.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -131.62 46.19 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.73 -30.44 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.11 -17.8 8.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -115.65 7.48 14.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 16.4 m -109.76 -23.64 11.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.256 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -50.83 130.83 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -145.81 -177.85 20.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.465 HG21 ' HD3' ' A' ' 65' ' ' ARG . 9.4 t -128.05 143.01 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -151.34 152.24 30.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.594 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 117.77 5.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.546 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.2 tt0 -69.75 -30.8 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -71.16 -6.36 38.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.929 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -109.4 1.74 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.929 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.33 179.44 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -131.69 146.58 52.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 134.36 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' B' ' 482' ' ' PRO . 57.6 t -106.05 137.47 19.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 481' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -88.91 115.88 64.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.04 21.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 t -66.96 131.38 93.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 171.06 19.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.33 39.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 129.29 41.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -92.09 158.12 39.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 172.02 17.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.42 83.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.547 ' CZ ' HG22 ' B' ' 472' ' ' VAL . 33.7 mtp180 -79.3 102.95 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.3 109.93 20.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.95 113.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.523 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -66.03 -171.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.75 -42.96 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.08 154.9 22.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.5 159.63 55.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.01 133.72 16.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 144.68 30.47 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.12 -22.17 16.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.39 148.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . 0.444 ' CE ' HG12 ' B' ' 438' ' ' VAL . 10.2 mtt -107.97 -71.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' B' ' 438' ' ' VAL . 18.6 p90 -159.48 179.76 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.504 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -100.2 143.81 29.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.669 HG13 HG23 ' B' ' 438' ' ' VAL . 4.3 m -122.72 167.1 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 20.0 tp60 -133.35 118.66 18.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.61 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.36 148.45 51.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -119.31 -1.54 10.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.599 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 72.6 m-70 -143.92 169.34 17.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 0.0 OUTLIER -110.5 101.99 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.959 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.5 t80 -115.57 113.6 23.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 7.7 m -80.3 113.57 18.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.959 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.51 116.46 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 26.6 p -120.16 93.53 4.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.504 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.5 t0 -142.33 -175.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . 0.407 ' O ' ' OD1' ' B' ' 426' ' ' ASP . 9.9 t -78.94 -14.94 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' B' ' 425' ' ' THR . 1.0 OUTLIER -153.69 39.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.653 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -91.68 163.27 14.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.433 HD13 ' HA3' ' B' ' 471' ' ' GLY . 5.9 tp -125.98 113.01 16.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.692 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.3 tt0 -76.24 137.09 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 1.013 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -129.95 141.88 50.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -123.83 132.23 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -39.02 97.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.22 45.84 1.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.676 ' OD2' HD13 ' B' ' 430' ' ' LEU . 20.2 t70 -108.16 169.45 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' B' ' 457' ' ' GLU . 2.7 m -118.56 128.02 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 1.013 HG21 HD11 ' B' ' 430' ' ' LEU . 54.5 t -137.0 149.66 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.791 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -112.18 127.5 55.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.686 HG21 ' CE1' ' B' ' 412' ' ' PHE . 28.2 t -78.85 115.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.725 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -122.13 153.67 61.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . 0.407 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.12 4.49 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -57.65 -173.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.444 ' OE1' ' NH2' ' B' ' 470' ' ' ARG . 0.0 OUTLIER -83.74 -29.72 27.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' B' ' 442' ' ' GLN . 4.5 m120 -159.3 145.86 12.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -19.13 18.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -24.66 62.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.476 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 2.8 mm-40 -86.72 -16.29 36.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 65' ' ' ARG . 7.0 tt0 -62.11 146.97 48.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.614 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.0 t0 -107.32 148.19 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.41 113.33 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.68 -3.25 62.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.614 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.0 OUTLIER -136.14 151.61 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.597 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -139.29 170.65 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.22 113.19 22.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.725 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.15 174.98 20.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.423 1.077 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.791 HG13 ' HG ' ' B' ' 437' ' ' LEU . 11.6 p -136.53 143.55 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.421 ' CG ' HG22 ' B' ' 436' ' ' VAL . 0.5 OUTLIER -80.24 160.61 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' B' ' 435' ' ' VAL . 5.1 tt0 -57.9 -41.64 83.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -35.53 80.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.746 ' HB2' HG22 ' B' ' 455' ' ' VAL . 87.1 m-20 -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.723 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -51.94 -47.83 64.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.19 -26.07 36.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.425 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.95 16.72 13.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -45.75 -23.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' B' ' 462' ' ' GLN . 13.6 pttt -58.15 -29.8 65.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -133.16 43.46 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -55.1 -31.7 61.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.15 -21.26 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.15 7.45 15.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 -23.12 11.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' B' ' 442' ' ' GLN . 2.3 mtt180 -50.62 151.0 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.433 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -160.45 -179.72 35.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.547 HG22 ' CZ ' ' A' ' 65' ' ' ARG . 51.7 t -123.6 142.99 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -151.09 152.19 30.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.614 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 115.58 4.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.48 ' CD ' HD11 ' B' ' 452' ' ' LEU . 1.1 tt0 -68.98 -31.58 70.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.2 OUTLIER -69.01 -8.03 41.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.911 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -108.23 1.31 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 111.014 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.911 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -127.25 174.84 8.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.74 147.12 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 13.8 mtm-85 -85.74 136.23 33.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' B' ' 482' ' ' PRO . 23.0 t -107.18 140.35 21.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . 0.454 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.645 HD21 ' NE2' ' B' ' 417' ' ' GLN . 0.5 OUTLIER -79.66 122.46 83.64 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.22 15.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 30.9 p -67.16 133.97 93.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 172.67 15.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 111.002 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.94 38.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.76 130.38 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.8 p -92.13 158.19 39.7 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.011 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.35 16.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.87 82.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.608 ' CZ ' HG22 ' B' ' 472' ' ' VAL . 40.0 mtp180 -78.74 88.84 4.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.84 119.31 24.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.69 113.94 10.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.598 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -57.37 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 0.72 . . . . 0.0 110.261 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . 0.578 HD23 ' N ' ' B' ' 404' ' ' LEU . 0.6 OUTLIER -127.96 -46.23 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -116.74 155.42 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.93 160.08 61.53 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.127 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.407 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.0 134.83 18.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 143.13 28.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.02 -22.48 22.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.515 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 12.7 t80 -36.09 146.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.7 mtt -105.72 -71.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.515 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 15.8 p90 -160.28 179.55 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.5 145.17 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.613 ' CG1' HG23 ' B' ' 438' ' ' VAL . 2.9 m -125.42 166.77 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -133.9 121.53 21.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.612 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -68.88 151.95 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.645 ' NE2' HD21 ' A' ' 56' ' ' LEU . 8.6 mt-30 -121.07 -0.63 9.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 81.6 m-70 -145.58 169.86 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.667 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.28 103.61 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.84 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.1 t80 -115.3 109.62 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 8.4 m -78.3 113.17 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.84 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.6 117.23 31.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.0 p -119.6 93.02 3.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t0 -141.83 -175.14 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 3.6 t -81.66 -11.33 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -156.93 39.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.59 ' CG ' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -91.84 161.77 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.489 HD22 ' O ' ' B' ' 454' ' ' GLY . 12.4 tp -122.61 113.1 18.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.551 ' C ' HD22 ' B' ' 430' ' ' LEU . 2.3 tt0 -78.37 137.06 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 1.007 HD11 HG21 ' B' ' 436' ' ' VAL . 3.7 mm? -130.37 143.81 51.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.38 132.74 53.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -38.94 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.29 48.77 1.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.528 ' OD2' HD13 ' B' ' 430' ' ' LEU . 30.0 t70 -111.63 169.4 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.28 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.597 HG23 ' CB ' ' B' ' 457' ' ' GLU . 9.2 m -117.04 128.33 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 1.007 HG21 HD11 ' B' ' 430' ' ' LEU . 19.6 t -138.11 148.76 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.854 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -108.78 132.82 53.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' B' ' 414' ' ' VAL . 37.1 t -86.25 110.68 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.73 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -115.88 153.75 48.19 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -56.73 -177.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -82.71 -15.37 52.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.43 147.79 2.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.42 11.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' B' ' 446' ' ' GLU . 0.0 OUTLIER -68.94 -26.24 64.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.457 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -81.59 -16.03 52.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.529 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.5 tt0 -67.82 149.93 49.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 6.6 t0 -107.67 152.93 23.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.76 112.3 9.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.04 63.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.886 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.45 150.85 50.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.886 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -139.08 172.17 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.416 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -87.79 113.47 23.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.73 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.03 174.37 21.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.854 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.9 p -136.66 146.05 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.422 ' CG ' HG22 ' B' ' 436' ' ' VAL . 0.9 OUTLIER -81.8 160.88 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.597 ' CB ' HG23 ' B' ' 435' ' ' VAL . 4.4 tt0 -58.25 -42.15 85.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -44.36 97.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.9 -33.17 73.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.598 ' CD1' ' HD2' ' B' ' 403' ' ' ARG . 4.6 t90 -52.97 -47.8 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.027 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -54.77 -26.03 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' B' ' 464' ' ' LYS . 63.8 mm-40 -91.82 17.94 8.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.548 ' O ' HD23 ' B' ' 466' ' ' LEU . 3.1 t60 -45.05 -24.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.45 -30.45 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.76 49.21 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 463' ' ' HIS . 1.1 pp -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.83 -17.08 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.43 7.66 15.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.43 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.5 OUTLIER -108.93 -23.81 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -50.34 142.46 10.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.416 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -159.98 178.83 35.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.608 HG22 ' CZ ' ' A' ' 65' ' ' ARG . 29.2 t -124.69 142.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -149.05 152.54 36.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.795 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.5 tt0 -68.28 -27.62 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -72.8 -6.85 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.874 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -109.96 2.38 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.874 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -127.23 177.23 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.4 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.28 143.71 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -82.69 134.25 35.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.5 HG23 ' HA ' ' B' ' 414' ' ' VAL . 39.9 t -103.95 115.92 62.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 56' ' ' LEU . 4.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.694 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -100.1 119.48 59.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.29 16.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -67.17 131.13 93.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.06 170.73 19.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.74 38.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 128.78 38.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 p -93.61 158.64 36.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.14 16.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -73.67 89.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.568 ' CB ' HG21 ' B' ' 472' ' ' VAL . 0.0 OUTLIER -78.99 94.24 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.61 111.56 19.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.0 t -132.27 80.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.558 1.161 . . . . 0.0 110.977 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.662 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -107.36 145.22 33.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.23 -34.77 10.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.562 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 32.8 m-20 -74.25 156.68 36.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.45 158.01 32.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -75.04 135.17 18.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.97 137.1 21.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.91 -22.54 21.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.1 t80 -36.5 147.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . 0.455 ' CE ' ' CG1' ' B' ' 438' ' ' VAL . 7.2 mtt -104.55 -70.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 16.1 p90 -159.05 174.7 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.43 ' HZ3' ' HB3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -95.14 141.26 28.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.847 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.2 m -123.86 165.36 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -134.12 121.45 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -67.11 150.88 48.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.51 -0.83 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.614 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.4 m-70 -142.93 168.88 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -110.3 103.0 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.815 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.8 t80 -115.81 110.32 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -82.02 114.43 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.815 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -109.52 117.38 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 60.7 p -116.94 92.68 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.57 -174.56 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.7 t -91.82 7.36 42.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -177.64 59.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.463 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.4 OUTLIER -119.02 171.37 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.412 HD13 ' HA3' ' B' ' 471' ' ' GLY . 7.0 tp -122.79 113.53 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.744 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.0 tt0 -80.64 134.9 35.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.929 HD11 HG21 ' B' ' 436' ' ' VAL . 3.5 mm? -126.22 138.62 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -122.64 124.71 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -33.76 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.2 46.9 1.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.51 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.8 t0 -109.91 169.08 8.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.583 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.1 OUTLIER -119.08 115.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.929 HG21 HD11 ' B' ' 430' ' ' LEU . 10.1 t -127.72 143.02 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.951 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.1 OUTLIER -107.99 132.96 52.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.455 ' CG1' ' CE ' ' B' ' 411' ' ' MET . 4.3 t -83.01 112.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.767 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.54 151.19 49.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -57.38 177.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.424 ' CG ' ' OE1' ' B' ' 446' ' ' GLU . 16.4 pt20 -88.03 5.43 40.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . 0.413 ' CB ' ' OE1' ' B' ' 446' ' ' GLU . 1.7 t30 170.81 150.6 0.18 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -21.61 15.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.82 -14.57 62.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.424 ' OE1' ' CG ' ' B' ' 442' ' ' GLN . 7.7 mt-10 -96.02 5.36 51.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.401 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 0.9 OUTLIER -99.16 153.3 19.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.503 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 23.5 t70 -114.53 158.76 21.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.71 111.55 11.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.06 -3.92 62.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.601 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.9 OUTLIER -135.77 143.36 45.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.43 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -129.16 171.28 12.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.459 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.42 113.07 22.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.767 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -133.73 176.57 19.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.951 HG13 ' HG ' ' B' ' 437' ' ' LEU . 4.1 p -138.22 144.94 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -78.06 162.72 26.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.0 tt0 -59.56 -45.26 92.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -43.34 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.502 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 59.7 m-20 -59.74 -32.03 70.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.681 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.6 t90 -52.47 -46.99 66.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.43 -24.57 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.476 ' NE2' ' N ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -84.3 17.91 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.662 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.3 OUTLIER -44.71 -23.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.1 OUTLIER -57.02 -30.28 64.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 49.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.438 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -61.4 -31.09 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.89 -29.08 59.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 8.42 39.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -102.66 -22.53 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -50.87 137.61 20.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.459 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -156.97 179.22 32.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.568 HG21 ' CB ' ' A' ' 65' ' ' ARG . 10.1 t -122.45 143.33 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.442 ' HZ ' HG22 ' B' ' 438' ' ' VAL . 16.9 p90 -148.54 148.48 28.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.601 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.36 -29.26 67.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.54 -6.17 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.886 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.51 1.15 15.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.886 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.95 171.72 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -125.91 144.55 50.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.1 OUTLIER -82.8 136.68 34.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' B' ' 414' ' ' VAL . 28.0 t -112.04 117.6 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -92.0 118.76 68.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.21 33.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.4 t -68.97 130.25 91.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 58' ' ' THR . 18.3 Cg_endo -75.01 171.06 19.06 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 110.959 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 161.89 37.88 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 129.37 41.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 p -92.56 158.03 39.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.4 Cg_endo -75.0 172.15 16.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.09 80.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HB2' HG21 ' B' ' 472' ' ' VAL . 0.6 OUTLIER -79.48 80.75 5.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HA ' ' OD2' ' B' ' 426' ' ' ASP . 3.3 ppt_? -119.12 118.76 32.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.247 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 p -114.42 134.85 54.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -67.76 -174.21 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.278 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . 0.404 HD23 ' N ' ' B' ' 404' ' ' LEU . 0.9 OUTLIER -123.65 -42.99 2.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -104.07 152.62 21.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.24 160.09 43.44 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -75.01 134.05 17.33 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -74.99 145.31 31.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.87 -21.02 21.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.133 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.495 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 20.0 t80 -36.87 151.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.27 -70.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 20.0 p90 -158.12 -179.93 8.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.659 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -101.92 144.09 30.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.809 HG22 ' O ' ' B' ' 436' ' ' VAL . 10.1 m -122.78 165.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 13.8 tp60 -133.2 119.1 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.618 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.53 142.79 57.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.614 ' NE2' HD11 ' A' ' 56' ' ' LEU . 8.6 mt-30 -114.35 -1.26 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.611 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 44.3 m-70 -144.65 170.41 16.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 9.3 p-10 -111.07 105.72 14.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.97 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.5 t80 -115.76 124.44 50.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -88.15 114.2 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.97 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.5 116.39 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.9 p -119.46 93.15 3.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.453 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 5.5 t0 -142.9 -175.2 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -89.76 0.15 57.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . 0.418 ' OD2' ' HA ' ' A' ' 66' ' ' ARG . 3.3 m-20 -164.22 32.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.483 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.8 mm-40 -91.03 167.56 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.847 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -128.08 113.59 15.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.582 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.0 tt0 -77.59 139.66 39.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 1.036 HD11 HG21 ' B' ' 436' ' ' VAL . 4.1 mm? -129.73 143.06 50.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.529 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.58 125.23 39.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.15 108.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.63 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.605 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 5.0 t0 -104.79 165.55 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.659 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -119.68 115.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 1.036 HG21 HD11 ' B' ' 430' ' ' LEU . 53.5 t -125.92 143.57 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.644 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -105.62 131.92 52.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.525 HG23 HG13 ' B' ' 414' ' ' VAL . 52.9 t -83.6 110.85 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.695 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.03 153.37 52.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.84 178.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.37 11.72 31.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' B' ' 446' ' ' GLU . 0.9 OUTLIER 168.04 149.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.92 20.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -73.37 -18.23 61.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 110.276 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.43 ' C ' ' HD3' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -91.98 4.14 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -99.82 142.16 31.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.242 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.475 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 34.6 t70 -119.48 135.31 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.71 117.42 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.12 -5.3 68.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.702 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -135.93 156.99 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.702 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -145.91 171.73 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.421 ' SD ' ' OE2' ' B' ' 446' ' ' GLU . 0.0 OUTLIER -86.21 112.66 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.695 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.32 165.64 25.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.925 HG22 ' HB2' ' B' ' 459' ' ' ASP . 2.2 p -126.39 145.27 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 109.246 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.47 ' CG ' HG22 ' B' ' 436' ' ' VAL . 2.1 mtmp? -78.61 162.64 26.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.597 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.3 tt0 -58.19 -42.56 86.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -35.59 80.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.925 ' HB2' HG22 ' B' ' 455' ' ' VAL . 23.8 m-20 -66.29 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.644 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.5 -47.89 66.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -56.31 -26.08 50.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.2 17.75 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.518 ' O ' HD23 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -45.4 -23.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 16.6 mtmt -58.28 -30.76 66.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -138.63 51.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.518 HD23 ' O ' ' B' ' 463' ' ' HIS . 1.7 pp -62.44 -30.55 71.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -54.4 -34.31 61.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 7.78 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.69 -18.36 13.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 2.3 mtt180 -58.39 151.6 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.847 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -165.44 -178.61 38.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 65' ' ' ARG . 71.0 t -118.94 143.13 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.463 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 15.8 p90 -146.4 149.68 38.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.603 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.579 ' HB3' HD21 ' B' ' 452' ' ' LEU . 2.6 tt0 -68.44 -26.62 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.7 OUTLIER -73.05 -4.98 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.924 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.18 4.26 15.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.924 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -129.15 174.33 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -125.5 144.32 50.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.552 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 3.7 mtt180 -82.28 131.63 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' B' ' 415' ' ' GLN . 49.0 t -113.97 131.63 23.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.462 1.77 . . . . 0.0 110.983 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 2.0 mp -77.84 119.74 78.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 131.34 14.2 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 14.3 m -68.02 133.6 91.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 58' ' ' THR . 18.1 Cg_endo -75.07 171.47 18.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.53 38.59 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.53 129.69 43.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.8 p -92.83 158.92 37.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' CD ' ' OD1' ' B' ' 448' ' ' ASP . 18.3 Cg_endo -74.95 172.25 16.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.0 p -72.78 80.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.543 ' HB2' HG21 ' B' ' 472' ' ' VAL . 1.9 mmp_? -79.41 82.87 5.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HA ' ' CB ' ' B' ' 426' ' ' ASP . 0.0 OUTLIER -83.56 116.43 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t -93.3 -61.09 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.567 1.167 . . . . 0.0 111.035 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.657 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -108.54 140.02 42.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 0.728 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.96 -35.34 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.525 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 14.9 m-20 -72.44 155.1 40.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 157.9 32.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.416 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.4 Cg_endo -74.96 135.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.34 20.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.542 1.812 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . . . . . . . . . . . 91.22 -22.01 31.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.3 t80 -36.88 147.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.76 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.75 -68.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.692 ' CZ ' HG21 ' B' ' 438' ' ' VAL . 19.7 p90 -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.484 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -104.24 147.12 27.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.626 ' CG1' HG23 ' B' ' 438' ' ' VAL . 1.4 m -131.38 167.68 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.9 OUTLIER -133.33 129.74 37.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.735 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -73.46 143.39 46.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.432 ' NE2' HD21 ' A' ' 56' ' ' LEU . 8.4 mt-30 -113.1 -2.77 14.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 78.4 m-70 -143.6 170.12 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.654 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -111.0 102.36 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 1.012 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.6 t80 -115.55 115.25 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -81.5 114.0 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 1.012 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.88 116.07 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 23.7 p -120.17 93.3 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.9 t0 -141.65 -175.19 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -79.66 -12.71 59.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . 0.405 ' CB ' ' HA ' ' A' ' 66' ' ' ARG . 1.1 m-20 -156.06 41.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.72 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.3 OUTLIER -94.3 162.86 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.864 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.48 112.64 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.536 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -76.22 136.81 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.943 HD11 ' CG2' ' B' ' 436' ' ' VAL . 3.3 mm? -128.68 147.65 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.459 ' CD ' ' OD1' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -127.9 130.34 48.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.341 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.03 98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.38 49.74 1.52 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.529 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 3.0 t70 -109.74 173.0 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.744 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.7 OUTLIER -120.78 125.75 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.943 ' CG2' HD11 ' B' ' 430' ' ' LEU . 20.1 t -135.56 148.54 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.601 ' CD1' ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -112.7 122.45 47.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.692 HG21 ' CZ ' ' B' ' 412' ' ' PHE . 43.7 t -72.87 111.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.783 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.15 153.58 55.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.18 4.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -54.93 177.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.456 ' OE1' ' NH2' ' B' ' 470' ' ' ARG . 0.0 OUTLIER -87.29 -3.86 59.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.95 161.67 0.86 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.43 20.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -18.48 59.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 25.0 mt-10 -86.64 -2.84 58.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.45 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 2.6 tt0 -100.1 143.58 30.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.433 ' OD1' ' CD ' ' A' ' 63' ' ' PRO . 29.3 t70 -122.44 141.28 51.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.25 114.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.75 -5.34 64.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.657 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -135.1 160.27 38.87 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.657 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -147.88 170.95 16.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.551 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -86.84 112.83 22.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.783 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.65 165.47 24.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.727 HG12 HD12 ' B' ' 439' ' ' ILE . 7.3 p -125.62 143.5 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.738 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.1 OUTLIER -80.93 161.97 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.3 tt0 -58.44 -39.39 79.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -45.44 91.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 76.8 m-20 -59.73 -31.61 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.601 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 3.7 t90 -52.07 -48.01 64.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -67.29 -24.02 65.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' B' ' 464' ' ' LYS . 69.1 mm-40 -82.73 17.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.322 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.657 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.1 OUTLIER -45.05 -23.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.9 tttt -56.59 -30.05 62.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.68 52.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.453 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.4 OUTLIER -61.33 -31.67 71.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.74 -17.78 25.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 8.07 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -104.01 -29.33 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.298 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.456 ' NH2' ' OE1' ' B' ' 442' ' ' GLN . 1.9 mtt180 -50.93 142.58 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.864 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -158.84 -177.22 31.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 65' ' ' ARG . 40.0 t -121.3 142.92 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.7 p90 -147.88 149.61 33.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.605 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 115.47 4.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.514 ' CB ' HD21 ' B' ' 452' ' ' LEU . 1.5 tt0 -68.5 -30.09 68.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -6.15 39.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.8 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.1 OUTLIER -111.26 2.22 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.8 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.1 p -127.0 177.21 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -129.92 140.48 50.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.46 ' HD2' ' CE2' ' B' ' 412' ' ' PHE . 14.6 mtm-85 -80.19 136.83 36.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' B' ' 414' ' ' VAL . 59.6 t -105.19 116.32 60.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.672 ' C ' HD23 ' A' ' 56' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.847 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -108.38 116.7 56.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.52 17.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 t -66.56 132.91 94.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.03 170.48 20.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.32 37.25 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.15 130.73 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 p -90.99 158.63 41.47 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.9 m -70.62 81.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.532 ' NH1' ' HA ' ' B' ' 446' ' ' GLU . 0.0 OUTLIER -78.51 87.2 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.294 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -83.97 111.54 19.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.0 t -72.99 -61.99 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.557 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -66.07 -174.86 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.757 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.59 -39.82 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -115.21 154.24 29.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 159.63 56.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -74.97 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.01 140.63 25.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.812 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 91.05 -22.57 28.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 18.9 t80 -35.97 152.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.3 mtt -112.47 -69.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.4 p90 -160.35 174.22 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.558 ' HG2' HD22 ' B' ' 437' ' ' LEU . 0.0 OUTLIER -96.83 135.59 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.857 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.5 m -121.07 167.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.477 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 0.5 OUTLIER -135.11 134.96 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.852 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -78.62 155.21 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.448 ' NE2' HD13 ' A' ' 56' ' ' LEU . 12.3 mt-30 -121.98 -0.25 9.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.591 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 70.8 m-70 -144.67 169.42 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.598 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -108.36 105.26 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.895 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.52 111.67 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -77.89 113.55 15.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.895 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.29 117.07 31.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 66.7 p -118.91 93.93 4.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.8 t0 -141.46 -174.93 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 10.2 t -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -164.7 40.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 1.7 mm-40 -93.38 170.39 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.647 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -127.34 112.98 15.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.757 ' C ' HD22 ' B' ' 430' ' ' LEU . 2.5 tt0 -77.22 140.42 40.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 1.054 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -130.64 144.99 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.476 ' CD ' ' HB2' ' B' ' 434' ' ' ASP . 0.0 OUTLIER -129.37 130.07 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -36.94 99.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.9 42.44 2.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.654 ' OD2' HD13 ' B' ' 430' ' ' LEU . 21.2 t70 -106.47 169.1 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.771 . . . . 0.0 109.303 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' B' ' 457' ' ' GLU . 0.2 OUTLIER -117.46 126.82 74.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 1.054 HG21 HD11 ' B' ' 430' ' ' LEU . 15.5 t -137.1 136.15 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.768 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -98.73 132.75 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.537 HG23 ' CG1' ' B' ' 414' ' ' VAL . 38.9 t -84.73 110.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.704 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.45 154.31 48.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -57.39 -178.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -22.82 31.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -162.82 147.24 9.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.64 15.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.542 1.811 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -21.1 62.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.532 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 27.5 mt-10 -85.37 -29.64 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.1 tt0 -60.25 134.23 56.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.622 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 5.9 t0 -93.63 152.12 19.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.45 111.88 6.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.51 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.16 -2.12 61.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.83 140.4 42.41 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.554 HD11 ' CD ' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -127.36 169.84 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.38 112.56 22.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.704 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.67 170.94 22.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.768 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.4 p -131.63 142.49 43.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.08 160.9 28.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.538 ' HB3' HG23 ' B' ' 435' ' ' VAL . 4.9 tt0 -58.56 -40.06 82.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -37.48 87.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.722 ' HB2' HG22 ' B' ' 455' ' ' VAL . 63.3 m-20 -67.14 -32.64 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.654 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -51.42 -47.71 62.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -57.08 -25.78 59.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.453 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.1 OUTLIER -91.8 16.82 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.581 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -45.12 -23.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' B' ' 462' ' ' GLN . 5.1 ptmt -57.61 -30.53 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -135.45 49.65 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.4 OUTLIER -59.65 -31.75 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.65 -32.09 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.97 8.56 32.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.6 -18.78 13.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.8 mtt180 -55.06 154.45 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.647 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -164.11 -178.15 37.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.16 143.36 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -151.08 153.14 32.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.609 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.98 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.554 ' CD ' HD11 ' B' ' 452' ' ' LEU . 1.3 tt0 -68.9 -30.33 68.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -67.33 -18.51 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 1.017 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -99.99 3.66 44.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 1.017 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -132.65 175.15 9.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.355 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . 0.432 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.7 OUTLIER -138.31 128.49 25.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.491 ' HA ' HG12 ' B' ' 414' ' ' VAL . 8.8 ptt180 -76.06 141.85 41.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 11.9 t -98.87 122.35 53.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 56' ' ' LEU . 12.3 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.782 HD21 ' NE2' ' B' ' 417' ' ' GLN . 0.4 OUTLIER -120.67 82.64 34.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.65 22.01 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 9.7 t -65.72 129.97 94.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.392 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.567 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 162.86 36.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -58.67 127.84 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.406 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 65.8 p -93.29 158.07 37.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.34 16.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -72.82 83.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.524 ' CZ ' ' O ' ' B' ' 445' ' ' GLU . 0.0 OUTLIER -79.15 90.75 4.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -98.6 113.97 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.3 p -46.11 124.09 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -178.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -120.21 -39.77 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -114.23 152.61 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.09 160.4 60.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.96 134.48 17.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 144.18 29.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.42 ' HA3' ' CG ' ' B' ' 440' ' ' PRO . . . 87.69 -19.89 30.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 15.6 t80 -37.13 149.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 0.722 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . 0.488 ' CE ' HG12 ' B' ' 438' ' ' VAL . 11.5 mtt -107.44 -71.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 19.0 p90 -159.58 -179.78 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.482 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.3 OUTLIER -98.69 143.65 28.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.611 ' CG1' HG23 ' B' ' 438' ' ' VAL . 3.8 m -124.77 165.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 9.6 tp60 -132.89 123.86 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.669 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -72.01 144.09 48.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.782 ' NE2' HD21 ' A' ' 56' ' ' LEU . 7.3 mt-30 -115.88 -4.89 12.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 76.3 m-70 -138.44 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.624 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -111.03 105.75 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.839 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.7 t80 -115.89 123.11 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -91.39 113.24 25.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.839 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -106.97 117.4 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.3 p -116.88 91.91 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.411 ' H ' ' CG ' ' B' ' 427' ' ' GLU . 2.9 t0 -144.5 -173.65 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 10.39 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.16 52.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.574 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.1 OUTLIER -110.0 171.73 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.71 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -122.71 113.16 18.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.692 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.3 tt0 -80.43 136.31 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.98 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -126.7 141.97 51.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -127.2 123.93 37.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -30.92 104.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.03 49.56 2.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.548 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.2 t70 -111.19 170.12 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.625 HG23 ' CB ' ' B' ' 457' ' ' GLU . 2.0 m -119.98 119.79 61.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.98 HG21 HD11 ' B' ' 430' ' ' LEU . 24.7 t -130.45 149.32 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.781 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -113.04 127.44 56.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.611 HG23 ' CG1' ' B' ' 414' ' ' VAL . 59.1 t -78.28 115.97 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.696 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -124.43 153.91 69.28 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . 0.42 ' CG ' ' HA3' ' B' ' 409' ' ' GLY . 18.2 Cg_endo -75.01 116.57 4.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.15 178.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.13 7.53 31.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 165.24 160.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.93 19.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.524 ' O ' ' CZ ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -72.97 -21.0 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.47 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 72.1 mm-40 -88.21 -0.98 57.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.536 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.8 tt0 -98.76 139.17 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.587 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.9 t70 -108.73 157.5 18.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 108.05 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.538 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 98.68 -1.62 58.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' B' ' 474' ' ' PRO . 0.4 OUTLIER -138.12 138.27 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.442 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -123.4 171.1 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' B' ' 441' ' ' PHE . 0.2 OUTLIER -86.46 112.83 21.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.696 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -134.86 173.11 21.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.781 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.5 p -133.4 144.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.522 ' CD ' ' OD2' ' B' ' 434' ' ' ASP . 1.5 mtmp? -81.68 161.31 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.625 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.6 tt0 -58.1 -42.99 86.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.68 ' HB2' HG22 ' B' ' 455' ' ' VAL . 1.5 m-20 -63.37 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.652 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -52.08 -47.97 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -53.95 -26.18 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.7 OUTLIER -97.2 17.83 16.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -45.55 -23.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.611 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.73 -30.19 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -135.21 51.36 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 0.7 OUTLIER -68.85 -30.13 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -53.01 -32.48 46.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -109.71 8.64 24.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.11 -22.17 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 11.3 mtt180 -51.78 153.18 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.71 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -158.08 -178.61 32.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 9.8 t -122.84 143.19 36.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -149.89 150.2 29.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.97 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -31.49 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.404 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.3 p30 -70.17 -6.58 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.894 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -110.55 0.6 17.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.894 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.03 173.16 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.2 OUTLIER -122.41 145.86 47.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 0.7 OUTLIER -88.09 126.09 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.33 130.58 24.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.66 ' C ' HD12 ' A' ' 56' ' ' LEU . 4.5 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.791 HD12 ' N ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -115.24 93.66 36.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.22 25.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -67.34 131.19 93.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.99 170.76 19.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.31 38.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.08 128.62 37.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 p -92.95 159.07 36.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HG2' ' NE ' ' A' ' 65' ' ' ARG . 18.4 Cg_endo -74.96 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.6 p -72.09 90.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.55 ' CB ' HG21 ' B' ' 472' ' ' VAL . 0.2 OUTLIER -79.37 80.65 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -118.07 84.51 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m 57.21 -176.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.667 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -107.21 143.53 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.6 -35.91 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.551 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 11.0 m-20 -72.74 156.03 39.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.53 157.66 33.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -75.0 135.45 19.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.99 135.42 19.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 93.03 -23.71 28.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' B' ' 409' ' ' GLY . 22.8 t80 -36.23 149.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.3 mtt -112.01 -69.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' B' ' 480' ' ' ARG . 30.0 p90 -154.42 -179.57 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 111.05 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.63 152.15 21.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.598 HG22 ' O ' ' B' ' 436' ' ' VAL . 5.0 m -130.56 165.95 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 6.0 tp60 -134.98 123.08 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.975 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -70.02 141.77 52.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.5 ' NE2' HD21 ' A' ' 56' ' ' LEU . 10.5 mt-30 -113.59 -2.2 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 83.5 m-70 -143.62 169.23 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' B' ' 431' ' ' LYS . 12.9 t70 -111.75 103.88 12.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 1.119 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.9 t80 -116.24 125.33 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -87.27 113.17 22.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.412 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 1.119 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.89 116.15 29.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.5 p -120.1 93.76 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.498 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.7 t70 -142.61 -175.25 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 5.6 t -88.58 -4.84 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.33 35.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.498 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -93.23 170.65 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.889 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -131.77 113.79 13.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.788 ' O ' HD22 ' B' ' 430' ' ' LEU . 2.5 tt0 -75.67 139.9 42.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.975 HD12 ' HB2' ' B' ' 416' ' ' ALA . 3.2 mm? -130.36 140.3 50.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.34 125.01 43.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -32.72 104.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 93.58 47.5 2.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.586 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 8.2 t0 -108.83 170.09 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.643 HG23 ' CB ' ' B' ' 457' ' ' GLU . 13.7 m -119.54 124.24 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.598 ' O ' HG22 ' B' ' 414' ' ' VAL . 42.7 t -136.13 149.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.78 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.76 132.75 53.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.557 HG23 ' CG1' ' B' ' 414' ' ' VAL . 3.2 t -84.87 113.03 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.671 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -118.41 153.28 51.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -56.99 178.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.49 -3.08 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . 0.504 ' CB ' ' OE1' ' B' ' 446' ' ' GLU . 1.0 OUTLIER 172.49 147.29 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . 0.409 ' HD2' ' ND2' ' B' ' 443' ' ' ASN . 18.3 Cg_endo -74.92 -17.52 19.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -17.08 62.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.504 ' OE1' ' CB ' ' B' ' 443' ' ' ASN . 4.3 mp0 -91.82 -29.58 16.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.574 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 4.2 tt0 -54.39 132.44 44.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.601 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 8.2 t70 -90.56 154.83 19.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.77 112.72 10.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 95.65 -5.06 66.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.622 ' CE3' ' HD3' ' B' ' 474' ' ' PRO . 1.2 m95 -134.01 146.52 50.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -129.43 170.71 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.423 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -88.99 113.37 24.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.671 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -135.82 175.85 20.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.78 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.6 p -136.67 144.11 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.328 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.467 ' CG ' HG22 ' B' ' 436' ' ' VAL . 1.9 mtmp? -79.73 160.73 26.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.643 ' CB ' HG23 ' B' ' 435' ' ' VAL . 1.9 tt0 -58.09 -42.64 86.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 1.6 t -59.89 -44.13 94.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' B' ' 455' ' ' VAL . 82.9 m-20 -59.73 -32.13 70.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.67 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.8 -47.46 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -67.12 -24.91 65.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.444 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -84.52 17.89 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.667 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.4 OUTLIER -45.22 -23.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.633 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mmtt -56.89 -30.08 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.14 50.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.459 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -62.55 -31.48 72.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' B' ' 466' ' ' LEU . 4.5 mt-10 -59.08 -17.7 28.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -115.15 8.16 15.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.7 OUTLIER -105.08 -26.87 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.258 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.34 139.52 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.889 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -155.69 -178.77 30.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.55 HG21 ' CB ' ' A' ' 65' ' ' ARG . 54.8 t -120.86 142.77 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -145.74 147.56 33.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.622 ' HD3' ' CE3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' B' ' 452' ' ' LEU . 0.6 OUTLIER -69.09 -31.57 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -70.32 -5.55 28.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.927 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.16 0.68 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.927 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.9 OUTLIER -128.16 177.67 6.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -129.21 145.08 51.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.9 mtt180 -84.78 137.56 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.578 HG13 ' HD2' ' B' ' 482' ' ' PRO . 84.6 t -111.52 141.15 23.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . 0.578 ' HD2' HG13 ' B' ' 481' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.416 ' C ' HD13 ' A' ' 56' ' ' LEU . 2.4 pp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.936 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.54 121.91 84.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.86 41.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.762 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 71.7 p -72.06 132.67 84.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 171.89 17.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.25 39.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 128.2 35.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.9 p -93.77 157.89 37.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.03 173.06 15.16 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.5 p -72.25 93.72 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.604 ' CB ' HG21 ' B' ' 472' ' ' VAL . 0.0 OUTLIER -79.41 101.08 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.59 114.71 20.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.37 -45.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.522 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -85.79 -173.28 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.75 -42.61 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.84 153.54 25.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.5 160.42 56.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.4 Cg_endo -74.94 135.07 18.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -74.98 144.98 30.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.062 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.48 -21.78 19.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.442 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 16.7 t80 -36.74 146.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.9 mtt -108.43 -69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.442 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 28.0 p90 -157.92 -179.84 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.747 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.3 OUTLIER -102.76 146.38 28.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.601 ' CG1' HG23 ' B' ' 438' ' ' VAL . 2.8 m -125.63 167.65 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 3.4 tp60 -134.52 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 1.05 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -73.14 146.78 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -116.76 -2.32 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.2 m-70 -143.21 170.95 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 11.9 p-10 -111.83 102.1 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 1.094 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.7 t80 -115.95 118.69 33.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 45.6 m -85.47 113.74 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 1.094 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.8 115.9 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.3 p -120.56 93.65 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.523 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.3 t0 -142.05 -175.41 4.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 9.1 t -76.35 -16.25 59.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.88 43.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.831 ' HG3' ' HB1' ' B' ' 422' ' ' ALA . 0.5 OUTLIER -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.352 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.7 tp -123.4 113.32 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.76 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.1 tt0 -77.19 136.96 38.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 1.05 HD12 ' HB2' ' B' ' 416' ' ' ALA . 3.6 mm? -128.95 140.28 51.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.25 126.26 46.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.24 98.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.11 48.06 1.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.525 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 9.8 t0 -109.75 169.0 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.747 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.7 OUTLIER -120.48 122.19 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.939 HG22 ' HG3' ' B' ' 456' ' ' LYS . 39.1 t -131.07 148.92 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.856 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.88 125.14 52.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.601 HG23 ' CG1' ' B' ' 414' ' ' VAL . 24.2 t -78.74 110.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.695 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -116.8 153.72 49.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 116.03 4.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -58.48 -177.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.507 ' NE2' ' NH2' ' B' ' 470' ' ' ARG . 0.0 OUTLIER -76.77 -22.65 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' B' ' 442' ' ' GLN . 1.0 OUTLIER -171.49 155.44 4.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.92 17.39 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -10.75 60.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 45.4 mt-10 -104.12 11.43 35.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -95.68 142.95 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.501 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 27.9 t70 -103.22 152.68 21.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -73.83 115.43 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.03 -4.49 65.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.057 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.811 ' C ' HD23 ' B' ' 452' ' ' LEU . 1.1 m95 -134.96 161.48 35.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.811 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -148.67 172.29 14.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.487 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.48 112.94 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.695 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -138.64 174.69 21.91 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.856 HG13 ' HG ' ' B' ' 437' ' ' LEU . 12.1 p -136.64 140.87 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.939 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.1 OUTLIER -78.19 161.73 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.656 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.6 tt0 -58.15 -36.33 72.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -46.04 74.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.513 ' HB2' HG22 ' B' ' 455' ' ' VAL . 0.9 OUTLIER -60.04 -32.83 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.621 ' CE3' ' CD1' ' B' ' 437' ' ' LEU . 4.1 t90 -51.97 -47.95 64.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -56.0 -25.69 45.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -90.32 17.38 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -45.61 -23.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.576 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 462' ' ' GLN . 2.7 mttt -58.1 -31.45 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . 0.44 ' HB3' ' CG ' ' B' ' 468' ' ' LYS . 3.2 mttt -142.94 57.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.94 67.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -54.51 -33.67 60.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -104.53 8.75 35.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.404 ' SG ' ' OD2' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -113.95 -10.02 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.355 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.507 ' NH2' ' NE2' ' B' ' 442' ' ' GLN . 1.9 mtt180 -55.29 156.57 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.487 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -165.22 178.01 40.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.604 HG21 ' CB ' ' A' ' 65' ' ' ARG . 44.4 t -120.62 143.38 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.526 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.1 p90 -141.84 144.97 34.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.709 ' HB3' HD21 ' B' ' 452' ' ' LEU . 2.3 tt0 -68.04 -27.56 66.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.301 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' B' ' 476' ' ' ASN . 0.4 OUTLIER -72.12 -5.66 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.857 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -116.6 3.38 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.857 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.6 OUTLIER -128.64 175.87 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.38 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -130.95 141.19 50.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.44 ' HD2' ' CE1' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -80.9 139.71 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' B' ' 414' ' ' VAL . 40.0 t -111.5 135.95 21.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.462 1.77 . . . . 0.0 111.006 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.924 HD12 ' NE2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -80.95 121.23 80.62 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.43 42.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 75.4 p -68.15 129.49 92.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 171.32 18.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.962 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.41 37.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -59.5 128.58 37.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.2 p -92.98 158.57 37.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 173.33 14.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.8 p -72.68 89.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.562 ' CB ' HG21 ' B' ' 472' ' ' VAL . 0.0 OUTLIER -78.51 104.02 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.86 120.66 24.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' GLY . 69.1 m -152.18 -61.75 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' B' ' 467' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -62.31 -173.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' B' ' 405' ' ' ASP . 0.6 OUTLIER -122.78 -40.39 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.415 ' N ' ' HG ' ' B' ' 404' ' ' LEU . 11.0 m-20 -110.02 155.2 22.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.12 160.01 38.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -75.02 133.91 17.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -74.98 144.61 30.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.26 -22.01 17.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.472 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 11.5 t80 -36.51 147.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . 0.447 ' CE ' HG12 ' B' ' 438' ' ' VAL . 10.0 mtt -108.1 -70.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' B' ' 438' ' ' VAL . 20.5 p90 -157.72 -179.84 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.678 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -103.04 145.29 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.548 HG13 HG23 ' B' ' 438' ' ' VAL . 4.5 m -123.98 165.65 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 14.8 tp60 -131.57 122.48 26.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.702 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -70.88 143.58 50.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.487 ' NE2' HD21 ' A' ' 56' ' ' LEU . 7.2 mt-30 -114.21 -4.76 13.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.924 ' NE2' HD12 ' A' ' 56' ' ' LEU . 16.2 m-70 -140.07 169.83 16.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.417 ' HA ' ' HA ' ' B' ' 431' ' ' LYS . 13.9 t0 -112.14 105.92 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 1.021 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 2.1 t80 -116.27 121.83 43.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -84.42 113.74 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 1.021 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.46 116.12 29.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 12.8 p -119.6 93.89 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.489 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.1 t70 -142.31 -175.6 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -86.06 -4.92 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -163.83 38.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.489 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.14 168.71 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.614 HD23 ' CA ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -124.3 113.58 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.707 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -79.91 130.94 35.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 1.046 HD11 HG21 ' B' ' 436' ' ' VAL . 2.8 mm? -123.5 139.54 53.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -125.66 125.4 43.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -29.71 103.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.9 45.9 2.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.619 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 5.1 t0 -107.22 164.68 11.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.678 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.4 OUTLIER -119.96 117.21 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 1.046 HG21 HD11 ' B' ' 430' ' ' LEU . 47.8 t -126.49 147.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.942 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -109.19 127.63 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.557 HG21 ' CE1' ' B' ' 412' ' ' PHE . 74.0 t -78.55 115.1 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.743 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -121.55 152.2 57.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -59.1 -179.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.408 ' CG ' ' OE1' ' B' ' 446' ' ' GLU . 6.4 pt20 -84.39 2.25 41.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . 0.461 ' CB ' ' OE1' ' B' ' 446' ' ' GLU . 1.3 t30 169.28 151.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . 0.4 ' HD2' ' ND2' ' B' ' 443' ' ' ASN . 18.4 Cg_endo -75.0 -19.43 17.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.04 -9.79 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.461 ' OE1' ' CB ' ' B' ' 443' ' ' ASN . 2.5 mp0 -101.33 7.87 42.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -95.84 147.34 23.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.598 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 19.5 t70 -108.83 156.24 19.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.8 113.25 11.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.7 -4.62 63.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.658 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -134.82 160.91 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.658 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -148.09 172.04 14.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.549 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.28 112.58 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.743 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.14 175.89 20.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.942 HG13 ' HG ' ' B' ' 437' ' ' LEU . 6.4 p -136.54 139.23 45.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.47 ' HE2' ' CD1' ' B' ' 428' ' ' LEU . 8.7 mtmt -76.39 160.49 29.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.656 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.9 tt0 -58.92 -40.7 85.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.453 ' HB2' HG22 ' B' ' 455' ' ' VAL . 55.7 m-20 -66.96 -33.74 76.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.703 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.0 t90 -52.68 -47.74 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -56.86 -26.11 57.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' B' ' 464' ' ' LYS . 55.5 mm-40 -92.46 17.44 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -45.39 -23.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.598 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -58.3 -32.88 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.92 45.68 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.456 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.3 OUTLIER -54.74 -30.43 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 68' ' ' GLY . 3.8 tt0 -55.15 -17.43 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.38 8.51 16.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -109.89 -26.41 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -49.95 143.38 7.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.614 ' CA ' HD23 ' B' ' 428' ' ' LEU . . . -164.72 -177.92 37.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.562 HG21 ' CB ' ' A' ' 65' ' ' ARG . 24.5 t -117.01 143.83 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.534 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 25.7 p90 -146.1 145.75 25.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.586 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.06 113.23 3.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.562 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.4 tt0 -69.81 -27.01 64.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.44 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.3 p30 -74.04 -3.29 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.892 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -116.45 5.36 13.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.892 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.5 p -129.54 174.09 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.45 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . 0.402 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 8.2 tt0 -124.24 148.03 47.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 134.5 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.412 HG23 ' HA ' ' B' ' 414' ' ' VAL . 26.2 t -107.48 117.53 55.64 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' C ' HD13 ' A' ' 56' ' ' LEU . 78.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.961 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -79.84 121.9 82.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.34 37.37 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 62.5 p -79.95 133.68 57.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.55 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 171.91 17.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.13 33.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -57.93 130.58 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 p -91.01 157.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.91 13.7 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m -71.68 91.3 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.527 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 6.8 mtp180 -78.16 96.12 5.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -82.43 115.55 21.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -116.69 163.0 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.993 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.666 ' NH2' ' CE1' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -107.83 143.94 35.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.24 -37.64 10.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.531 ' O ' ' CD ' ' B' ' 403' ' ' ARG . 14.4 m-20 -71.64 156.0 39.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.68 157.79 33.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.418 ' HD3' ' NE1' ' B' ' 460' ' ' TRP . 18.2 Cg_endo -75.01 135.61 19.28 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.05 137.72 21.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.01 -23.49 17.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.6 t80 -36.1 147.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.2 mtt -105.75 -70.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.543 ' CE1' ' HD3' ' B' ' 480' ' ' ARG . 18.4 p90 -157.4 -179.58 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.675 ' NZ ' HG12 ' B' ' 435' ' ' VAL . 0.2 OUTLIER -99.28 145.82 26.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.784 HG22 ' O ' ' B' ' 436' ' ' VAL . 5.4 m -127.23 164.84 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -134.65 122.65 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.632 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -69.03 152.93 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -123.81 0.38 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 82.7 m-70 -145.35 169.54 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.585 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -110.26 104.33 13.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.865 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -115.65 104.06 11.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 2.1 m -75.47 113.39 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -113.41 119.23 36.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 25.6 p -118.12 93.8 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -143.64 -174.17 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 7.8 t -95.53 1.32 53.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -165.23 53.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' B' ' 427' ' ' GLU . 0.1 OUTLIER -118.65 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.492 HD13 ' HA3' ' B' ' 471' ' ' GLY . 6.4 tp -129.95 113.34 14.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.66 ' C ' HD22 ' B' ' 430' ' ' LEU . 5.7 tt0 -78.15 137.62 38.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 1.012 HD11 HG21 ' B' ' 436' ' ' VAL . 4.5 mm? -129.79 146.2 51.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -128.74 130.19 46.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.76 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 102.87 45.91 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.572 ' OD2' HD13 ' B' ' 430' ' ' LEU . 27.0 t70 -110.21 170.08 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.675 HG12 ' NZ ' ' B' ' 413' ' ' LYS . 0.6 OUTLIER -117.44 128.1 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 1.012 HG21 HD11 ' B' ' 430' ' ' LEU . 25.4 t -137.57 145.1 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.891 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -107.87 133.33 52.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.47 HG23 ' CG1' ' B' ' 414' ' ' VAL . 6.4 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.759 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -120.22 152.87 55.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.22 4.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -60.1 -175.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -81.97 -25.88 34.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -164.1 149.39 8.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.15 17.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.86 -27.13 65.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.527 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 8.4 mm-40 -81.38 -28.97 34.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.6 tt0 -54.7 138.66 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.628 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 11.5 t70 -97.66 152.37 19.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.05 114.03 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.502 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.78 -4.34 63.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.979 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -135.89 158.88 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.979 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -144.91 172.14 13.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.45 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -87.21 113.83 23.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.759 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.0 177.97 19.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.891 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.0 p -138.03 145.21 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -81.49 161.65 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.572 ' CB ' HG23 ' B' ' 435' ' ' VAL . 6.2 tt0 -57.62 -43.13 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.35 95.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.49 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 18.5 m-20 -59.92 -32.79 71.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.473 ' CD1' ' HD3' ' B' ' 403' ' ' ARG . 3.9 t90 -52.34 -47.71 65.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -67.3 -23.84 65.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.461 ' C ' ' N ' ' B' ' 464' ' ' LYS . 56.4 mm-40 -82.79 17.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.666 ' CE1' ' NH2' ' B' ' 403' ' ' ARG . 0.1 OUTLIER -44.91 -23.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' B' ' 462' ' ' GLN . 7.1 mtmt -56.89 -30.3 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -140.41 53.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.434 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.4 OUTLIER -60.37 -31.84 70.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.09 -17.65 41.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.92 8.07 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.7 OUTLIER -103.55 -24.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -50.44 137.61 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -155.2 178.65 31.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.418 HG21 ' HD3' ' A' ' 65' ' ' ARG . 74.4 t -122.16 142.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.461 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 16.3 p90 -147.15 147.5 29.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.582 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -74.96 117.21 4.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.56 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.1 tt0 -68.86 -30.45 68.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.441 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.18 -5.41 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.836 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.31 0.44 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.836 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.29 179.57 5.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -132.17 150.95 52.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 8.1 mtt180 -88.12 131.46 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 62.9 t -106.47 115.82 60.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' C ' HD13 ' A' ' 56' ' ' LEU . 69.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.938 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -80.01 121.87 82.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.44 38.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.429 1.752 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 4.3 t -68.97 132.47 90.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.355 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 171.39 18.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.982 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.36 35.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.05 129.86 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 98.0 p -91.62 156.25 43.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.82 15.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.793 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.69 87.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.577 ' CZ ' HG22 ' B' ' 472' ' ' VAL . 50.7 mtp180 -78.71 114.94 18.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 119.25 24.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.9 p -108.13 79.22 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.958 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.983 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -70.0 -171.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' B' ' 405' ' ' ASP . 1.1 pt? -123.32 -43.09 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.406 ' N ' ' HG ' ' B' ' 404' ' ' LEU . 10.0 m-20 -110.53 153.45 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.08 159.92 58.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 134.3 17.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -75.04 141.82 27.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.82 -23.02 18.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 10.3 t80 -35.91 148.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 10.2 mtt -106.22 -71.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.559 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 7.9 p90 -160.15 177.09 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.599 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -93.83 139.39 30.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.962 HG22 ' O ' ' B' ' 436' ' ' VAL . 14.9 m -119.51 167.53 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' B' ' 479' ' ' GLU . 6.5 tp60 -133.88 129.33 36.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' B' ' 430' ' ' LEU . . . -76.76 146.85 37.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -117.5 -0.96 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.56 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.7 m-70 -147.15 168.87 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.572 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -107.84 103.87 13.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -113.83 110.35 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -81.02 113.66 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -113.12 117.94 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 21.2 p -117.99 93.19 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 2.6 t70 -142.11 -174.94 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 13.6 t -88.18 -0.79 57.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -165.47 36.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.458 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -92.53 164.2 13.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.401 HD13 ' HA3' ' B' ' 471' ' ' GLY . 1.9 tp -121.86 113.79 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -83.87 136.73 34.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' B' ' 416' ' ' ALA . 0.3 OUTLIER -129.92 151.61 50.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.66 131.28 46.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.39 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.54 44.8 2.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.57 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 26.7 t70 -109.55 169.91 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.608 HG23 ' CB ' ' B' ' 457' ' ' GLU . 1.5 m -117.83 126.85 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.962 ' O ' HG22 ' B' ' 414' ' ' VAL . 37.4 t -135.66 143.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.718 HD13 ' CE3' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -102.77 133.25 48.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.489 HG23 ' CG1' ' B' ' 414' ' ' VAL . 7.5 t -87.32 109.9 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.97 153.3 47.07 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 116.17 4.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' B' ' 447' ' ' GLN . 0.0 OUTLIER -57.29 -175.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -86.13 -3.96 59.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.57 148.57 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.7 15.59 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.464 1.771 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -24.68 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.469 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 4.6 mm-40 -85.75 -14.73 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.522 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 5.5 tt0 -69.15 137.37 53.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.634 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 4.3 t0 -94.33 149.0 21.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . 0.453 ' N ' ' OD1' ' B' ' 448' ' ' ASP . 0.5 OUTLIER -69.76 111.69 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.535 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.19 0.26 61.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.634 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 1.3 m95 -138.64 147.43 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -134.74 172.02 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.37 113.6 23.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.07 172.95 22.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.9 HG22 ' HB2' ' B' ' 459' ' ' ASP . 9.9 p -136.88 145.68 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.548 ' HG2' HG22 ' B' ' 436' ' ' VAL . 0.2 OUTLIER -77.98 160.63 28.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.608 ' CB ' HG23 ' B' ' 435' ' ' VAL . 2.9 tt0 -57.89 -43.6 86.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -37.91 76.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.9 ' HB2' HG22 ' B' ' 455' ' ' VAL . 25.8 m-20 -66.0 -32.3 73.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.718 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.5 t90 -51.44 -47.06 63.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -57.78 -26.81 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -92.79 16.76 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.533 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -45.85 -23.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.603 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 12.8 tttt -57.85 -30.37 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -131.47 48.81 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 3.7 pp -55.03 -31.51 61.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.08 -18.86 63.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -115.0 7.29 15.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.0 OUTLIER -112.48 -10.84 13.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -60.25 150.62 29.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.401 ' HA3' HD13 ' B' ' 428' ' ' LEU . . . -165.14 179.97 39.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 111.029 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.577 HG22 ' CZ ' ' A' ' 65' ' ' ARG . 23.2 t -125.37 142.72 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.481 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 10.9 p90 -149.3 150.26 31.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.1 Cg_endo -75.0 115.43 4.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.717 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.3 tt0 -69.08 -29.85 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.454 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.4 p30 -71.93 -5.4 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.85 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.32 2.27 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.85 HG23 ' CD1' ' B' ' 477' ' ' PHE . 2.0 p -128.22 -179.68 5.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 415' ' ' GLN . 5.0 tt0 -131.45 150.01 52.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.448 ' HD2' ' CZ ' ' B' ' 412' ' ' PHE . 11.2 mtm-85 -89.84 133.8 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 40.3 t -111.27 115.92 51.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.925 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -79.98 121.6 82.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.43 42.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 4.4 m -71.07 134.01 85.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.5 Cg_endo -74.96 171.47 18.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 111.023 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.47 33.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.48 130.44 46.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.443 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 88.1 p -90.91 157.1 43.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 173.9 13.7 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.9 p -71.36 93.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.07 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.732 ' HD3' HG21 ' B' ' 472' ' ' VAL . 5.1 mtp180 -78.54 116.24 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.09 116.33 30.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.51 -60.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.406 ' C ' ' OD1' ' B' ' 426' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -63.46 -174.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.99 -40.81 2.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -106.58 153.85 21.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.03 160.35 37.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -75.06 133.57 16.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.0 Cg_endo -75.03 144.27 29.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 88.04 -23.95 12.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' B' ' 409' ' ' GLY . 19.5 t80 -35.83 147.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 7.7 mtt -110.06 -69.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.406 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 18.3 p90 -157.17 -179.5 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.632 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.1 OUTLIER -100.27 147.45 25.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.786 HG22 ' O ' ' B' ' 436' ' ' VAL . 11.2 m -125.29 167.43 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 3.3 tp60 -133.12 123.18 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.686 ' HB3' ' H ' ' B' ' 434' ' ' ASP . . . -71.99 145.14 48.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.39 3.15 13.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 88.4 m-70 -148.13 169.53 19.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.32 100.43 8.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 1.0 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.7 t80 -113.07 117.97 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.78 114.67 21.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 1.0 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -110.76 116.33 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 20.2 p -119.8 94.03 4.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 8.9 t -85.54 -5.44 59.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 68' ' ' GLY . 70.9 m-20 -163.69 38.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.495 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 2.9 mm-40 -92.58 170.83 9.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.883 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.2 OUTLIER -130.38 113.49 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.456 ' C ' HD22 ' B' ' 430' ' ' LEU . 6.7 tt0 -79.44 141.18 37.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 1.01 HD11 HG21 ' B' ' 436' ' ' VAL . 3.5 mm? -127.44 154.65 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -131.69 127.85 37.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' B' ' 418' ' ' HIS . . . -39.27 96.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.88 33.06 4.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.686 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.1 t70 -96.2 169.99 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.632 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.6 OUTLIER -115.41 127.13 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 1.01 HG21 HD11 ' B' ' 430' ' ' LEU . 3.3 t -135.34 143.92 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -103.44 130.74 50.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.474 HG23 ' CG1' ' B' ' 414' ' ' VAL . 3.2 t -85.49 109.95 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.722 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -116.05 153.29 48.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.0 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -58.0 -172.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -18.88 32.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -174.15 152.34 1.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -19.66 17.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.52 -27.83 65.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.518 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 80.3 mt-10 -82.22 -28.96 31.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 6.9 tt0 -54.71 137.55 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.615 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.9 t70 -96.98 149.97 21.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.99 113.91 8.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.57 -3.89 63.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.805 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -136.0 159.42 41.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.826 HD21 ' CB ' ' B' ' 475' ' ' GLU . 0.1 OUTLIER -145.17 172.01 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.405 ' HE3' ' O ' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -87.39 113.5 23.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.722 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -139.6 176.51 21.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' B' ' 437' ' ' LEU . 12.7 p -138.28 144.84 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.419 ' HG2' ' CG2' ' B' ' 436' ' ' VAL . 0.5 OUTLIER -78.71 160.49 27.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.588 ' CB ' HG23 ' B' ' 435' ' ' VAL . 3.7 tt0 -58.68 -43.27 89.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -36.64 80.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.699 ' HB2' HG22 ' B' ' 455' ' ' VAL . 61.1 m-20 -65.58 -33.37 75.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.663 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.7 t90 -52.46 -47.67 66.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -56.49 -26.26 53.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' B' ' 464' ' ' LYS . 1.5 mp0 -94.48 17.59 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.516 ' C ' ' CD2' ' B' ' 463' ' ' HIS . 0.2 OUTLIER -45.55 -24.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.571 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' B' ' 462' ' ' GLN . 21.3 mtpt -58.26 -30.74 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . 0.421 ' HB3' ' CD ' ' B' ' 468' ' ' LYS . 0.7 OUTLIER -135.61 48.23 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.623 HD12 ' HG2' ' B' ' 470' ' ' ARG . 0.1 OUTLIER -69.47 -29.45 67.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . 0.402 ' HA ' ' NH1' ' B' ' 470' ' ' ARG . 5.3 mt-10 -53.55 -35.64 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . 0.421 ' CD ' ' HB3' ' B' ' 465' ' ' LYS . 0.0 OUTLIER -106.05 9.11 32.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.406 ' CB ' ' HA ' ' B' ' 466' ' ' LEU . 0.6 OUTLIER -106.11 -18.66 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.623 ' HG2' HD12 ' B' ' 466' ' ' LEU . 3.4 mtm-85 -51.06 153.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.883 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -162.91 -177.37 35.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.732 HG21 ' HD3' ' A' ' 65' ' ' ARG . 14.1 t -125.37 143.24 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.444 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 13.8 p90 -145.55 149.66 41.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.6 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.02 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.826 ' CB ' HD21 ' B' ' 452' ' ' LEU . 2.2 tt0 -69.74 -29.65 67.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.445 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -72.61 -4.48 31.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.927 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -112.53 1.79 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.927 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.0 OUTLIER -128.93 -179.89 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -131.48 143.96 50.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.33 135.92 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' B' ' 414' ' ' VAL . 17.4 t -104.66 139.82 20.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' B' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.66 HD21 ' NE2' ' B' ' 417' ' ' GLN . 2.6 mp -109.47 119.55 47.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.39 10.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.38 134.69 93.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.358 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 170.43 20.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.82 38.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.31 128.47 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -93.03 159.1 36.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.91 15.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -72.2 84.75 1.04 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' CD ' ' C ' ' B' ' 446' ' ' GLU . 2.6 mmp_? -79.06 82.78 5.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' HA ' ' CB ' ' B' ' 426' ' ' ASP . 0.9 OUTLIER -119.15 119.38 33.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.44 ' N ' ' OE2' ' B' ' 446' ' ' GLU . 30.8 p -38.76 98.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.579 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -71.05 -169.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.338 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . 0.436 ' H ' HD23 ' B' ' 404' ' ' LEU . 1.4 pt? -127.18 -44.63 1.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -116.63 154.77 29.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 160.02 55.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.95 135.16 18.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.444 1.76 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.1 Cg_endo -75.03 145.42 31.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 86.05 -18.63 30.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 14.6 t80 -36.82 150.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . 0.446 ' SD ' HG12 ' B' ' 438' ' ' VAL . 11.3 mtt -108.28 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.555 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 14.1 p90 -159.04 -179.77 8.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.791 ' HE2' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -99.92 133.31 44.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.715 ' CG1' HG23 ' B' ' 438' ' ' VAL . 1.4 m -114.38 166.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.592 ' HB2' HG21 ' B' ' 481' ' ' VAL . 13.7 tp60 -132.33 124.94 29.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.849 ' HB2' HD23 ' B' ' 430' ' ' LEU . . . -70.57 147.78 48.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.66 ' NE2' HD21 ' A' ' 56' ' ' LEU . 8.1 mt-30 -119.02 -6.01 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.7 m-70 -141.64 169.08 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 9.7 p-10 -107.69 106.34 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.912 ' CZ ' ' HB2' ' B' ' 422' ' ' ALA . 1.8 t80 -114.8 111.83 21.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -84.12 113.88 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.912 ' HB2' ' CZ ' ' B' ' 420' ' ' TYR . . . -111.24 116.7 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 43.6 p -117.63 91.69 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.19 -173.51 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 6.5 t -94.46 14.1 21.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . 0.437 ' CB ' ' HA ' ' A' ' 66' ' ' ARG . 3.7 t70 179.29 60.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -125.06 170.94 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.726 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -125.69 113.5 17.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.498 ' O ' ' CD ' ' B' ' 456' ' ' LYS . 5.2 tt0 -80.44 132.87 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.911 HD21 HG21 ' B' ' 436' ' ' VAL . 0.3 OUTLIER -125.29 144.27 50.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -123.4 131.08 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -37.25 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 99.21 48.94 1.64 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.616 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.8 t0 -110.95 172.64 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.791 HG12 ' HE2' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -120.54 123.39 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.911 HG21 HD21 ' B' ' 430' ' ' LEU . 22.0 t -133.6 149.12 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.806 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -111.82 125.16 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.715 HG23 ' CG1' ' B' ' 414' ' ' VAL . 11.8 t -77.21 110.59 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.69 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -119.62 152.82 53.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.13 4.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -53.87 176.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.56 11.74 25.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 165.05 159.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.37 19.54 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.446 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 1.2 mt-10 -73.84 -20.13 60.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.463 ' C ' ' CD ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -86.89 -6.22 58.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 2.7 tt0 -99.3 144.55 28.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 12.1 t70 -116.11 159.0 22.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 108.19 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.526 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.82 0.31 59.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.599 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.7 OUTLIER -138.62 143.46 39.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -128.8 171.77 11.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.72 113.04 22.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.036 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.69 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -137.31 165.92 25.1 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.806 HG13 ' HG ' ' B' ' 437' ' ' LEU . 14.4 p -127.67 144.85 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.325 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.862 ' HG3' HG22 ' B' ' 436' ' ' VAL . 0.5 OUTLIER -80.86 162.89 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.639 ' HB3' HG23 ' B' ' 435' ' ' VAL . 5.5 tt0 -57.86 -39.1 76.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -46.74 77.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.556 ' HB2' HG22 ' B' ' 455' ' ' VAL . 7.2 m-20 -59.98 -32.7 71.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.68 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.8 t90 -51.8 -47.81 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -55.44 -26.79 44.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.0 OUTLIER -93.44 16.62 13.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -45.83 -23.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.556 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' B' ' 462' ' ' GLN . 6.2 pttt -58.26 -31.19 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 43.15 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.33 -31.14 63.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.79 -22.58 47.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.63 7.38 14.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.84 -13.27 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 7.2 mtt180 -57.29 151.06 16.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.726 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -160.56 -178.19 34.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 5.2 t -125.79 143.2 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 9.5 p90 -149.8 150.06 29.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.597 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.4 Cg_endo -74.93 119.82 5.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.0 OUTLIER -68.96 -34.59 75.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.408 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 5.7 p30 -69.66 -6.26 30.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.713 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.2 OUTLIER -108.54 2.32 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.713 HG23 ' CD1' ' B' ' 477' ' ' PHE . 1.2 p -128.35 -179.8 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.458 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -131.83 150.66 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.435 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 7.3 mtm-85 -88.18 126.53 35.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . 0.592 HG21 ' HB2' ' B' ' 415' ' ' GLN . 22.0 t -105.06 138.52 19.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 55' ' ' LEU . 1.6 pt? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.965 HD12 ' NE2' ' B' ' 418' ' ' HIS . 0.0 OUTLIER -79.45 121.9 83.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.4 43.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.8 t -67.77 130.44 92.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.35 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.541 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 171.85 17.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.73 34.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 130.19 45.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.5 p -91.47 157.3 42.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.17 13.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.8 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.4 p -70.97 92.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.694 ' HD3' HG21 ' B' ' 472' ' ' VAL . 6.6 mtp180 -78.37 101.02 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -81.41 113.53 19.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -169.73 108.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.558 ' HD2' ' CD1' ' B' ' 460' ' ' TRP . 0.0 OUTLIER -70.91 167.8 18.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.05 -27.56 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -114.62 152.9 31.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.25 159.9 36.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.98 134.53 17.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.2 Cg_endo -75.02 141.16 26.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 89.55 -22.3 24.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 9.1 t80 -36.24 147.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . 0.492 ' SD ' HG12 ' B' ' 438' ' ' VAL . 11.5 mtt -103.76 -73.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.561 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.4 p90 -158.22 179.4 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.721 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -96.47 140.3 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.963 HG22 ' O ' ' B' ' 436' ' ' VAL . 16.3 m -120.92 166.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' B' ' 434' ' ' ASP . 7.8 tp60 -134.71 127.38 30.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.631 ' HB3' ' H ' ' B' ' 434' ' ' ASP . . . -75.48 141.36 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' B' ' 479' ' ' GLU . 8.0 mt-30 -112.89 -6.4 13.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.965 ' NE2' HD12 ' A' ' 56' ' ' LEU . 19.9 m-70 -138.5 168.34 19.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.584 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 5.2 p-10 -109.34 105.87 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.92 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.6 t80 -116.36 124.08 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -92.46 116.71 29.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 0.92 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.26 116.48 30.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 34.4 p -118.24 91.2 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.403 ' H ' ' CG ' ' B' ' 427' ' ' GLU . 4.9 t0 -144.45 -173.96 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' B' ' 426' ' ' ASP . 9.5 t -94.81 13.94 23.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' B' ' 425' ' ' THR . 13.3 m-20 -179.55 59.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.538 ' HB2' ' HB1' ' B' ' 422' ' ' ALA . 0.0 OUTLIER -124.48 171.57 9.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.841 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -128.07 113.27 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.493 ' C ' HD22 ' B' ' 430' ' ' LEU . 4.9 tt0 -76.09 134.76 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.994 HD11 HG21 ' B' ' 436' ' ' VAL . 4.3 mm? -123.55 141.38 52.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -124.67 126.73 46.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.08 102.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.35 48.54 2.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.631 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 6.7 t0 -110.46 171.62 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.721 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -119.8 119.29 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.994 HG21 HD11 ' B' ' 430' ' ' LEU . 14.8 t -129.65 144.02 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.462 ' HG ' ' CG1' ' B' ' 455' ' ' VAL . 0.0 OUTLIER -106.12 133.39 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.559 HG23 ' CG1' ' B' ' 414' ' ' VAL . 48.9 t -86.28 110.25 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.726 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.78 153.69 48.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -59.96 -176.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -80.96 -18.68 46.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.35 151.3 1.61 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.44 19.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.69 -24.99 62.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.542 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -84.01 -28.51 27.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.492 ' HB2' ' CE2' ' B' ' 441' ' ' PHE . 3.5 tt0 -54.86 138.89 41.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.621 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 10.2 t70 -98.77 154.38 18.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.97 113.17 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.515 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 96.4 -3.34 63.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.621 ' CD1' ' OD2' ' B' ' 448' ' ' ASP . 0.9 OUTLIER -136.5 157.09 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.609 HD11 ' OE1' ' B' ' 475' ' ' GLU . 0.0 OUTLIER -142.59 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.34 113.82 23.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.726 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -141.22 169.17 25.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.956 HG22 ' HB2' ' B' ' 459' ' ' ASP . 2.3 p -129.97 146.47 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -78.87 163.16 25.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.596 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.6 tt0 -58.06 -43.24 86.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -39.39 88.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.956 ' HB2' HG22 ' B' ' 455' ' ' VAL . 29.4 m-20 -65.2 -32.43 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.558 ' CD1' ' HD2' ' B' ' 403' ' ' ARG . 3.7 t90 -52.56 -47.3 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 108.031 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -62.96 -24.73 68.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.438 ' C ' ' N ' ' B' ' 464' ' ' LYS . 36.8 mm-40 -86.84 17.73 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.434 ' O ' HD23 ' B' ' 466' ' ' LEU . 0.0 OUTLIER -45.21 -24.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.598 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' B' ' 462' ' ' GLN . 0.0 OUTLIER -57.99 -30.68 66.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -139.72 52.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.434 HD23 ' O ' ' B' ' 463' ' ' HIS . 2.7 pp -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.95 -18.81 59.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -114.46 6.36 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' CB ' ' B' ' 459' ' ' ASP . 0.1 OUTLIER -110.66 -15.22 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -56.81 152.78 11.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.841 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -167.01 -179.62 40.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.694 HG21 ' HD3' ' A' ' 65' ' ' ARG . 37.3 t -121.55 143.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.737 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.461 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 14.1 p90 -146.76 148.69 34.03 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.8 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.609 ' OE1' HD11 ' B' ' 452' ' ' LEU . 1.1 tt0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.445 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.1 p30 -72.15 -4.94 32.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.893 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -114.66 2.22 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.893 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -127.33 175.97 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . 0.419 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 2.3 tt0 -128.86 151.3 49.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.446 ' HD3' ' CZ ' ' B' ' 412' ' ' PHE . 5.1 mtm180 -89.78 131.01 35.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.02 115.81 62.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 -179.913 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 56' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.94 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -80.24 121.43 81.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 150.2 37.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.4 t -68.93 133.02 90.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' CZ2' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 171.16 18.86 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.764 . . . . 0.0 110.998 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.73 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.78 130.45 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.435 ' CB ' ' OD2' ' B' ' 448' ' ' ASP . 79.4 p -90.83 157.11 44.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 173.2 14.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -71.9 88.6 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.548 ' CD ' ' O ' ' B' ' 446' ' ' GLU . 14.1 mtp180 -78.47 99.92 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.17 104.3 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -142.8 77.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' B' ' 403' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.488 ' HD2' ' CD2' ' B' ' 463' ' ' HIS . 0.0 OUTLIER -37.34 143.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.14 -13.08 36.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.458 ' HB2' ' NE ' ' B' ' 403' ' ' ARG . 6.4 m-20 -103.11 151.18 22.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.35 159.42 29.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.2 Cg_endo -74.99 134.21 17.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.556 1.819 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 143.8 29.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.41 -21.17 22.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' B' ' 409' ' ' GLY . 8.1 t80 -35.83 146.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -105.57 -72.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.42 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 19.6 p90 -153.4 -179.99 8.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.779 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -103.47 135.83 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.8 HG22 ' O ' ' B' ' 436' ' ' VAL . 3.7 m -119.44 168.25 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' B' ' 434' ' ' ASP . 2.0 tp60 -133.7 131.19 39.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.991 ' HB2' HD12 ' B' ' 430' ' ' LEU . . . -75.53 144.7 41.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -116.12 -0.89 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 77.1 m-70 -144.79 170.07 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 419' ' ' ASP . 7.9 p-10 -112.08 103.13 11.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 1.036 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 3.1 t80 -116.34 116.92 28.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -82.25 113.03 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -113.19 116.85 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 30.9 p -119.47 94.23 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.506 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 4.6 t0 -142.16 -174.97 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.5 t -89.22 -0.94 57.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.17 32.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.506 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 3.3 mm-40 -91.84 170.56 9.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.715 HD23 ' HA3' ' B' ' 471' ' ' GLY . 0.1 OUTLIER -132.37 113.27 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.606 ' O ' HD22 ' B' ' 430' ' ' LEU . 3.6 tt0 -76.25 135.82 39.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 0.991 HD12 ' HB2' ' B' ' 416' ' ' ALA . 2.7 mm? -125.74 146.62 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -129.21 126.13 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' B' ' 431' ' ' LYS . . . -34.17 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 101.02 50.55 1.24 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.549 ' H ' ' HB3' ' B' ' 416' ' ' ALA . 10.7 t0 -112.91 172.61 6.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.779 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.0 OUTLIER -120.6 120.88 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 0.915 HG22 ' HG3' ' B' ' 456' ' ' LYS . 39.5 t -131.53 137.52 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.895 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -103.25 123.65 47.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' B' ' 414' ' ' VAL . 15.9 t -74.26 110.44 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.791 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.2 OUTLIER -114.74 153.16 46.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' B' ' 409' ' ' GLY . 18.3 Cg_endo -75.01 116.81 4.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.809 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -60.04 -172.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -85.77 -26.06 26.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.46 148.0 8.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.18 17.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -27.39 66.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.548 ' O ' ' CD ' ' A' ' 65' ' ' ARG . 7.3 mm-40 -81.11 -27.94 35.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 65' ' ' ARG . 3.9 tt0 -53.75 143.7 20.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.559 ' OD2' ' CD1' ' B' ' 451' ' ' TRP . 7.5 t0 -103.57 155.35 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.64 111.72 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.52 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 97.47 -2.17 60.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.807 ' C ' HD23 ' B' ' 452' ' ' LEU . 0.9 OUTLIER -137.18 154.72 50.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.807 HD23 ' C ' ' B' ' 451' ' ' TRP . 0.1 OUTLIER -142.34 172.17 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.99 113.61 22.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.791 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -136.87 172.02 22.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.895 HG13 ' HG ' ' B' ' 437' ' ' LEU . 7.7 p -135.41 139.09 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . 0.915 ' HG3' HG22 ' B' ' 436' ' ' VAL . 1.1 mtpm? -75.46 162.1 28.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.617 ' HB3' HG23 ' B' ' 435' ' ' VAL . 4.4 tt0 -59.83 -40.33 88.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -37.64 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.552 ' HB2' HG22 ' B' ' 455' ' ' VAL . 45.6 m-20 -68.63 -33.1 73.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.733 ' CE3' HD13 ' B' ' 437' ' ' LEU . 3.3 t90 -51.87 -49.57 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -54.61 -26.35 32.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.467 ' C ' ' N ' ' B' ' 464' ' ' LYS . 1.9 mp0 -104.55 19.72 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . 0.488 ' CD2' ' HD2' ' B' ' 403' ' ' ARG . 0.2 OUTLIER -45.43 -22.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.467 ' N ' ' C ' ' B' ' 462' ' ' GLN . 3.5 tttt -57.44 -30.78 65.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -126.26 45.13 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' B' ' 470' ' ' ARG . 1.0 OUTLIER -56.53 -36.98 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.46 -17.13 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -115.11 3.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.507 ' HG ' ' CG ' ' B' ' 459' ' ' ASP . 0.5 OUTLIER -114.97 -19.21 11.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' B' ' 466' ' ' LEU . 3.9 mtm180 -52.46 152.3 3.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.715 ' HA3' HD23 ' B' ' 428' ' ' LEU . . . -166.17 179.75 40.08 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . . . . . . . . . 71.9 t -121.33 142.59 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.464 ' CE1' ' HA3' ' B' ' 454' ' ' GLY . 11.7 p90 -147.01 149.39 35.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.588 ' HG3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -75.01 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.503 ' HB3' HD21 ' B' ' 452' ' ' LEU . 1.2 tt0 -68.83 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . 0.417 ' OD1' ' HG3' ' A' ' 59' ' ' PRO . 7.6 p30 -71.27 -5.64 33.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.787 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -111.3 1.91 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.787 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.8 OUTLIER -126.63 179.47 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 415' ' ' GLN . 2.3 tt0 -129.59 145.57 51.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.09 131.23 34.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.14 118.48 52.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -78.65 120.28 80.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.42 13.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 m -68.21 135.5 91.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.445 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.58 22.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.473 1.775 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 162.04 37.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.73 128.05 35.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 65' ' ' ARG . 77.9 p -93.88 156.8 38.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.58 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 18.2 Cg_endo -75.03 -179.05 4.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.87 106.82 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.826 ' NH1' HG11 ' B' ' 472' ' ' VAL . 0.2 OUTLIER -95.49 79.84 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -86.91 120.27 28.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' GLY . 65.4 m -104.69 127.32 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.461 ' O ' ' NE2' ' B' ' 442' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.468 ' N ' ' NE ' ' B' ' 403' ' ' ARG . 0.0 OUTLIER -68.49 -170.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 404' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.67 -41.6 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -112.86 155.04 25.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.92 160.0 44.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 133.79 17.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 407' ' ' PRO . 18.4 Cg_endo -75.01 144.54 30.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.791 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 409' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' B' ' 410' ' ' PHE . . . 87.28 -22.09 17.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.489 ' CZ ' ' HA ' ' B' ' 412' ' ' PHE . 17.3 t80 -35.91 150.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.773 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 411' ' ' MET . . . . . . . . . . . . . 9.2 mtt -110.64 -71.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.489 ' HA ' ' CZ ' ' B' ' 410' ' ' PHE . 16.1 p90 -157.2 179.7 9.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 413' ' ' LYS . . . . . 0.68 ' HE3' HG12 ' B' ' 435' ' ' VAL . 0.0 OUTLIER -102.54 137.85 40.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 414' ' ' VAL . . . . . 0.747 ' CG1' HG23 ' B' ' 438' ' ' VAL . 0.9 OUTLIER -116.87 167.2 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 415' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -133.87 118.9 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . 0.721 ' HA ' HG22 ' B' ' 478' ' ' THR . . . -66.5 149.79 49.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.46 ' NE2' HD21 ' A' ' 56' ' ' LEU . 10.1 mt-30 -119.73 -0.21 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.502 ' HB2' ' CE2' ' B' ' 477' ' ' PHE . 84.6 m-70 -145.85 170.22 16.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.16 . . . . 0.0 109.61 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 419' ' ' ASP . . . . . 0.447 ' OD2' ' HB2' ' B' ' 432' ' ' ALA . 0.0 OUTLIER -111.25 103.27 11.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 1.034 ' CE2' ' HB2' ' B' ' 422' ' ' ALA . 1.4 t80 -116.19 109.62 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.9 113.91 13.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 422' ' ' ALA . . . . . 1.034 ' HB2' ' CE2' ' B' ' 420' ' ' TYR . . . -112.58 117.35 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 423' ' ' THR . . . . . . . . . . . . . 40.7 p -119.7 94.87 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 424' ' ' ASP . . . . . 0.496 ' CB ' ' HB2' ' B' ' 427' ' ' GLU . 1.6 t70 -140.86 -175.42 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 425' ' ' THR . . . . . . . . . . . . . 14.3 t -82.8 -9.67 59.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -161.86 44.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.496 ' HB2' ' CB ' ' B' ' 424' ' ' ASP . 0.6 OUTLIER -95.57 170.26 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 3.9 tp -126.87 113.1 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 429' ' ' GLN . . . . . 0.68 ' C ' HD22 ' B' ' 430' ' ' LEU . 3.8 tt0 -77.66 136.99 38.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 430' ' ' LEU . . . . . 1.094 HD11 HG21 ' B' ' 436' ' ' VAL . 4.4 mm? -129.18 141.92 51.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 431' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' B' ' 433' ' ' GLY . 0.0 OUTLIER -124.8 132.09 53.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 432' ' ' ALA . . . . . 0.447 ' HB2' ' OD2' ' B' ' 419' ' ' ASP . . . -38.27 97.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 433' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 431' ' ' LYS . . . 100.95 45.97 1.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 434' ' ' ASP . . . . . 0.673 ' OD2' HD13 ' B' ' 430' ' ' LEU . 18.9 t70 -108.78 169.52 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.68 HG12 ' HE3' ' B' ' 413' ' ' LYS . 0.1 OUTLIER -118.53 121.33 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 436' ' ' VAL . . . . . 1.094 HG21 HD11 ' B' ' 430' ' ' LEU . 3.2 t -130.45 139.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 437' ' ' LEU . . . . . 0.902 ' HG ' HG13 ' B' ' 455' ' ' VAL . 0.0 OUTLIER -101.19 133.68 45.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 438' ' ' VAL . . . . . 0.747 HG23 ' CG1' ' B' ' 414' ' ' VAL . 49.7 t -86.9 110.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 439' ' ' ILE . . . . . 0.742 HD13 ' HA2' ' B' ' 454' ' ' GLY . 0.1 OUTLIER -115.99 153.94 48.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 441' ' ' PHE . 0.0 OUTLIER -56.82 -179.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER -83.6 -24.99 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 443' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' B' ' 442' ' ' GLN . 2.3 m120 -162.91 154.58 15.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -17.61 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -23.92 61.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 5.9 mt-10 -84.08 -19.63 33.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.356 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.67 151.95 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.305 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 448' ' ' ASP . . . . . 0.486 ' CB ' HH11 ' A' ' 65' ' ' ARG . 30.5 t70 -122.93 149.44 44.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 449' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' B' ' 449' ' ' GLU . 5.1 pt-20 -68.88 117.84 11.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 450' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' B' ' 451' ' ' TRP . . . 94.64 -4.15 68.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 451' ' ' TRP . . . . . 0.673 ' O ' HD23 ' B' ' 452' ' ' LEU . 1.3 m95 -136.59 161.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.673 HD23 ' O ' ' B' ' 451' ' ' TRP . 0.0 OUTLIER -149.43 169.87 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 453' ' ' MET . . . . . 0.536 ' HE2' ' O ' ' B' ' 471' ' ' GLY . 0.0 OUTLIER -86.22 113.0 21.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 454' ' ' GLY . . . . . 0.742 ' HA2' HD13 ' B' ' 439' ' ' ILE . . . -137.25 178.08 19.29 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 455' ' ' VAL . . . . . 0.902 HG13 ' HG ' ' B' ' 437' ' ' LEU . 3.9 p -138.44 145.48 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 456' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -79.74 159.74 26.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 457' ' ' GLU . . . . . 0.616 ' HB3' HG23 ' B' ' 435' ' ' VAL . 2.0 tt0 -57.91 -44.39 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -36.74 76.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . 0.485 ' CB ' ' CG2' ' B' ' 455' ' ' VAL . 71.8 m-20 -68.1 -33.22 74.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 460' ' ' TRP . . . . . 0.45 ' CE3' HD13 ' B' ' 437' ' ' LEU . 4.1 t90 -52.52 -47.33 66.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 461' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -59.82 -26.61 65.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 462' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' B' ' 464' ' ' LYS . 0.4 OUTLIER -93.24 17.22 11.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 463' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -45.34 -24.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.431 ' N ' ' C ' ' B' ' 462' ' ' GLN . 4.2 pttt -57.96 -30.6 66.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 465' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.96 39.37 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.445 ' HA ' ' SG ' ' B' ' 469' ' ' CYS . 0.2 OUTLIER -57.4 -30.54 65.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.27 -18.92 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 9.04 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 469' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -108.13 -21.66 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.336 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . 0.404 HH12 HD21 ' B' ' 466' ' ' LEU . 0.2 OUTLIER -50.53 127.15 17.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 471' ' ' GLY . . . . . 0.536 ' O ' ' HE2' ' B' ' 453' ' ' MET . . . -150.55 -177.57 24.6 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.478 1.112 . . . . 0.0 111.009 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 472' ' ' VAL . . . . . 0.826 HG11 ' NH1' ' A' ' 65' ' ' ARG . 39.9 t -118.48 149.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 473' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' B' ' 438' ' ' VAL . 27.4 p90 -150.84 145.54 18.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 474' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' B' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 112.54 3.58 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 475' ' ' GLU . . . . . 0.553 ' HB2' HD11 ' B' ' 452' ' ' LEU . 1.3 tt0 -68.32 -28.51 67.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 476' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.85 -6.57 39.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' B' ' 478' ' ' THR . 0.0 OUTLIER -113.5 2.2 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' B' ' 477' ' ' PHE . 0.7 OUTLIER -128.04 177.16 7.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.441 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 479' ' ' GLU . . . . . 0.411 ' HB2' ' NE2' ' B' ' 417' ' ' GLN . 0.7 OUTLIER -134.07 146.69 50.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.255 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 480' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' B' ' 412' ' ' PHE . 0.3 OUTLIER -84.27 137.4 33.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 481' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.73 118.48 48.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.882 . . . . . . . . 0 0 . 1 stop_ save_